data_2m7d_residue 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 2m7d _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.462 0.175 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.93 77.23 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -68.27 -39.23 82.24 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.128 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.74 -49.2 78.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.4 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.19 -36.42 84.01 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.665 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.68 -18.55 59.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.682 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.39 -0.284 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.456 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.86 13.05 31.95 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.99 19.3 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.705 178.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.357 0.123 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.7 165.64 13.77 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.907 2.405 . . . . 0.0 112.474 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -61.7 144.34 97.2 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.027 2.485 . . . . 0.0 113.118 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -80.27 119.59 3.87 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.758 2.306 . . . . 0.0 112.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.301 0.096 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.23 81.73 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -66.83 -39.15 87.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.09 -48.83 80.06 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.343 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.37 -36.53 84.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.808 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.2 59.58 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.725 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -96.74 8.21 44.81 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 -31.75 25.99 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.307 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.436 178.706 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.376 0.132 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.22 166.56 14.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.928 2.418 . . . . 0.0 112.742 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.25 144.81 92.48 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.047 2.498 . . . . 0.0 113.319 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -80.53 117.88 3.46 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.852 2.368 . . . . 0.0 112.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.446 0.165 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.49 73.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.293 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.42 -38.69 74.62 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.073 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.35 -36.6 84.23 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.702 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.8 60.28 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.65 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.178 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.434 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 50.2 m95 -97.41 11.64 35.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.27 -31.77 20.08 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.721 0.296 . . . . 0.0 110.265 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.259 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 178.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.91 165.6 13.39 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.937 2.425 . . . . 0.0 112.692 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.17 146.47 95.99 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.194 2.596 . . . . 0.0 113.276 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.68 135.34 10.22 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.816 2.344 . . . . 0.0 112.628 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.039 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.366 0.127 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.51 75.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.97 -39.18 79.61 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -60.95 -49.13 78.71 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.496 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 mt -64.4 -36.57 84.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.677 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 -18.01 60.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.649 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.7 12.2 34.53 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.08 -31.82 20.28 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 178.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.374 0.131 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.57 165.85 13.92 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.932 2.421 . . . . 0.0 112.64 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.31 144.49 95.33 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.028 2.485 . . . . 0.0 113.227 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.28 121.48 3.9 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.875 2.383 . . . . 0.0 112.6 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.077 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.506 0.193 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.22 -33.95 75.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.92 -38.1 76.12 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.142 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -60.74 -48.79 80.23 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.79 -36.54 84.64 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.719 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.65 60.57 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.648 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.7 m95 -97.36 10.57 39.27 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.48 -31.52 22.74 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.791 0.329 . . . . 0.0 110.15 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.763 178.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.67 166.0 13.69 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.996 2.464 . . . . 0.0 112.726 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.6 146.49 92.64 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.073 2.516 . . . . 0.0 113.342 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.36 152.15 17.9 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.813 2.342 . . . . 0.0 112.494 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.38 0.133 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.88 81.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.07 -38.33 82.28 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.22 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.36 -48.47 81.62 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.349 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.39 -36.32 83.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.837 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 -17.53 59.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.79 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.218 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.5 m95 -96.98 8.79 43.7 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.1 -31.98 24.98 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.563 178.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.387 0.137 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.3 166.57 14.14 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.928 2.419 . . . . 0.0 112.715 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.32 145.49 92.89 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.927 2.418 . . . . 0.0 113.208 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -80.65 120.68 3.98 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.787 2.325 . . . . 0.0 112.489 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.107 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 110.64 -0.134 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.72 76.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.95 -38.73 79.61 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -60.49 -48.93 79.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.24 -36.56 84.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.705 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.69 -18.04 60.58 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.63 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.9 m95 -96.72 7.06 47.46 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.76 -32.34 31.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.826 0.346 . . . . 0.0 110.164 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 178.801 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.44 167.66 13.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.85 2.366 . . . . 0.0 112.757 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.4 147.1 93.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.045 2.497 . . . . 0.0 113.361 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.55 144.84 16.1 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.875 2.383 . . . . 0.0 112.559 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.107 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.29 75.36 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -69.19 -37.93 78.37 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.074 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -61.62 -49.05 78.13 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.68 -36.44 83.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.759 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -18.73 60.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.599 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.22 0 N-CA-C 112.401 -0.28 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.456 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.25 10.9 38.25 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.71 22.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.531 0.245 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.821 178.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.38 166.06 14.18 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.902 2.401 . . . . 0.0 112.576 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.6 146.48 92.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.931 2.42 . . . . 0.0 113.204 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.47 149.4 18.92 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.744 2.296 . . . . 0.0 112.509 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.934 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.94 73.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.197 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -61.34 -48.98 78.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.393 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.32 -36.76 85.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.647 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.46 60.34 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.0 m95 -97.38 11.65 35.91 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -32.36 21.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.227 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.593 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.387 0.137 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.07 166.53 14.55 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.917 2.411 . . . . 0.0 112.747 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.72 145.87 95.07 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.168 2.579 . . . . 0.0 113.345 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.81 148.05 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.853 2.369 . . . . 0.0 112.567 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.115 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.287 0.089 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.67 84.07 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.55 -39.09 88.38 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.223 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -59.5 -49.1 79.08 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.201 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.29 -36.7 84.95 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.706 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.36 59.81 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.685 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.505 0.193 . . . . 0.0 111.484 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.3 8.46 44.52 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.38 -31.85 26.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.767 0.318 . . . . 0.0 110.189 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.703 178.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.73 166.51 13.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.991 2.461 . . . . 0.0 112.49 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.12 144.71 92.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.991 2.46 . . . . 0.0 113.32 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -81.25 152.72 18.36 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.989 2.459 . . . . 0.0 112.576 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.007 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.33 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.95 -38.14 76.06 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.21 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.88 -36.13 82.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.695 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 -17.43 59.55 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.637 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.461 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.9 m95 -97.0 8.55 44.25 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.6 -32.2 25.88 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.233 0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.443 178.688 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 120.388 0.137 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.08 166.73 14.47 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.937 2.424 . . . . 0.0 112.786 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.45 147.0 93.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.051 2.501 . . . . 0.0 113.345 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.97 151.77 18.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.096 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.515 0.197 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.0 76.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.439 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -69.64 -37.67 76.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -61.25 -48.98 78.96 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.23 -36.35 83.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.91 -17.21 59.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.173 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.1 m95 -97.52 11.42 36.91 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.77 -31.96 20.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 110.226 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 178.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.2 Cg_endo -82.92 166.41 14.89 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.907 2.404 . . . . 0.0 112.833 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.47 147.61 94.6 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -81.3 129.82 6.88 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.855 2.37 . . . . 0.0 112.592 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.001 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.03 74.9 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -69.68 -38.87 77.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.11 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.14 -48.95 79.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.686 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.7 -18.45 59.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.444 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.7 m95 -97.52 11.96 35.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.03 -32.14 20.17 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 178.811 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.8 Cg_endo -83.67 165.9 13.72 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.906 2.404 . . . . 0.0 112.641 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.25 144.96 96.15 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.988 2.458 . . . . 0.0 113.251 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -80.84 151.59 18.94 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.841 2.361 . . . . 0.0 112.504 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.2 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.46 0.171 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.47 76.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.254 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.28 -38.71 78.48 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.112 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.04 -48.9 79.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.465 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.63 -35.9 82.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.749 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -20.23 59.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.65 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.193 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.8 m95 -97.8 13.64 29.77 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.51 18.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.344 . . . . 0.0 110.082 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.532 0.25 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.609 178.77 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.2 Cg_endo -83.82 165.08 13.71 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.975 2.45 . . . . 0.0 112.639 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.1 144.46 95.98 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 0.0 113.361 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.43 18.64 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.893 2.396 . . . . 0.0 112.537 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.049 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.398 0.142 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.42 75.81 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -69.58 -37.63 77.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.66 -48.96 78.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.319 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.72 -36.15 82.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.617 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.81 -18.37 60.47 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.622 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.183 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.9 m95 -97.46 11.43 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.74 -31.19 21.09 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.66 178.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.386 0.136 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.67 165.65 13.82 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.922 2.415 . . . . 0.0 112.645 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.36 146.66 93.64 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.052 2.502 . . . . 0.0 113.319 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.73 145.12 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.856 2.371 . . . . 0.0 112.641 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.521 0.201 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.3 -33.74 75.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.477 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -69.65 -38.99 77.35 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.111 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -59.97 -49.13 78.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.434 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.69 -36.44 84.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.752 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.99 -18.31 60.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.452 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 53.7 m95 -97.29 11.76 35.39 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.89 -31.48 20.71 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.679 178.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.325 0.107 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.72 165.62 13.73 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.92 2.413 . . . . 0.0 112.558 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -62.28 146.35 95.86 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.05 2.5 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -81.75 152.02 17.02 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.815 2.343 . . . . 0.0 112.611 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.016 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.355 0.121 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.59 81.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.428 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.32 -38.54 81.66 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.253 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.94 -48.55 81.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.193 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.92 -36.28 83.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.61 59.72 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.625 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 58.1 m95 -97.17 11.5 36.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.39 21.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.58 178.758 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.418 0.151 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.87 166.08 15.14 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.872 2.381 . . . . 0.0 112.695 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.92 146.21 94.79 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.993 2.462 . . . . 0.0 113.261 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.97 151.85 18.66 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.845 2.363 . . . . 0.0 112.521 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.096 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.463 0.203 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.77 76.62 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.154 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.84 -48.72 80.54 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.314 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.35 -36.24 83.48 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.789 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.91 60.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.646 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.169 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.4 m95 -97.03 9.05 43.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.96 -31.2 25.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 110.031 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.611 178.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.371 0.129 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.46 166.41 13.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.945 2.43 . . . . 0.0 112.677 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.7 146.03 91.78 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.979 2.452 . . . . 0.0 113.205 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -80.8 152.04 19.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.837 2.358 . . . . 0.0 112.537 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.072 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.67 76.58 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -68.82 -38.65 80.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.179 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.78 -48.63 80.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.325 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.3 -36.29 83.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.757 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.77 -16.99 59.31 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.67 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.517 0.199 . . . . 0.0 111.406 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.434 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.33 10.5 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.4 -32.26 22.46 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.49 178.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.363 0.125 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.99 166.27 14.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.92 2.413 . . . . 0.0 112.671 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.89 146.02 94.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.032 2.488 . . . . 0.0 113.282 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -80.53 150.45 19.29 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.841 2.36 . . . . 0.0 112.62 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.536 0.208 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.497 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -70.11 -37.5 75.38 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.189 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -61.67 -49.0 78.28 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 mt -64.56 -36.99 86.0 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.767 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.692 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.2 m95 -96.78 11.02 37.13 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -31.91 21.29 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 178.762 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.356 0.122 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.36 166.16 14.19 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.963 2.442 . . . . 0.0 112.805 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.69 147.43 92.65 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.121 2.547 . . . . 0.0 113.398 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -80.6 146.75 17.16 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.88 2.387 . . . . 0.0 112.482 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 0.0 111.101 -179.91 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.487 0.184 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.86 76.99 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.242 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -69.32 -39.22 78.36 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -59.93 -48.61 80.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.392 179.128 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.46 -36.37 83.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.85 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -19.84 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -97.26 10.04 40.59 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.09 -31.3 23.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 110.131 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.752 178.851 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.334 0.111 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.86 166.47 13.2 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.636 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.6 145.83 92.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.009 2.473 . . . . 0.0 113.303 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.63 134.55 9.89 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.891 2.394 . . . . 0.0 112.49 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.139 179.995 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.427 0.156 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.52 80.32 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.514 178.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -68.69 -37.7 79.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -60.92 -48.98 79.34 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.289 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.61 -36.74 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.705 179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -17.41 60.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.687 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -96.35 8.16 44.66 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.35 -32.16 26.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.695 0.283 . . . . 0.0 110.293 178.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.531 0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 178.758 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.397 0.142 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.21 166.72 14.25 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.901 2.401 . . . . 0.0 112.818 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.67 146.79 92.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.059 2.506 . . . . 0.0 113.332 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.4 151.97 17.75 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.918 2.412 . . . . 0.0 112.55 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.093 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.355 0.122 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.22 82.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -67.35 -38.28 84.58 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 178.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.0 -48.72 80.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.58 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.09 -17.7 59.5 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.677 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.5 m95 -97.73 10.94 38.76 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.26 21.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 0.0 110.164 178.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.776 178.926 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.35 0.119 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.84 165.45 13.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.932 2.421 . . . . 0.0 112.573 179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.2 144.62 92.35 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 123.001 2.467 . . . . 0.0 113.29 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.87 18.81 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.848 2.366 . . . . 0.0 112.586 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.45 0.167 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.65 78.45 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.547 178.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -69.22 -38.01 78.35 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.188 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -61.24 -48.93 79.22 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.349 179.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.4 mt -64.87 -35.99 82.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.732 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.55 59.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.662 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.217 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.448 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.9 m95 -97.44 10.92 38.45 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.92 -31.84 21.93 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 178.923 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.399 0.143 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.97 165.97 13.17 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.736 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.02 145.11 94.05 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.068 2.512 . . . . 0.0 113.394 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -80.96 139.16 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.888 2.392 . . . . 0.0 112.584 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.268 179.982 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.337 0.113 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.0 74.97 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 178.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -69.27 -38.74 78.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.091 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -60.79 -48.78 80.27 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.97 -36.59 84.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.633 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.42 -18.67 59.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.641 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.212 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.462 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.68 11.36 37.34 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.56 -31.13 21.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.138 178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.661 178.819 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.345 0.117 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.462 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.63 165.94 13.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.959 2.439 . . . . 0.0 112.535 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.03 145.45 94.19 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.948 2.432 . . . . 0.0 113.2 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.68 120.71 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.827 2.351 . . . . 0.0 112.615 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.984 179.913 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.524 0.202 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.61 75.74 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.533 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -70.7 -36.87 73.47 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.26 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.84 -48.53 80.15 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.275 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.89 -37.11 86.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.755 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -17.45 60.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.728 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 51.2 m95 -97.57 11.54 36.54 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.07 -31.32 20.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.777 0.323 . . . . 0.0 110.175 178.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.704 178.914 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.599 -0.149 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.5 Cg_endo -84.15 165.99 12.84 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.889 2.392 . . . . 0.0 112.585 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.88 146.32 94.9 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.948 2.432 . . . . 0.0 113.277 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.61 132.68 9.0 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.817 2.345 . . . . 0.0 112.53 179.366 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.97 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.514 0.197 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.55 75.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.527 178.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.72 -37.34 73.52 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.25 178.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.09 -48.92 79.47 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.6 -36.3 83.78 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.49 -17.22 59.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.619 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 179.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.2 m95 -97.61 12.41 33.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.1 -32.58 19.84 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.482 178.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.346 0.117 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.15 165.9 14.67 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.976 2.451 . . . . 0.0 112.805 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.65 146.0 95.23 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.095 2.53 . . . . 0.0 113.229 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -80.9 145.87 16.01 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.804 2.336 . . . . 0.0 112.483 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.144 -179.967 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.312 0.101 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.43 87.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.303 178.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.95 -39.06 90.12 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.289 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -60.64 -49.02 79.19 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.51 -36.19 83.38 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.736 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.29 59.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.654 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.45 11.98 34.86 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.87 -32.06 20.43 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.249 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.509 178.76 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.388 0.137 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.76 165.86 15.45 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.917 2.412 . . . . 0.0 112.784 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.11 145.09 93.62 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.017 2.478 . . . . 0.0 113.329 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.13 151.24 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.871 2.381 . . . . 0.0 112.534 179.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.106 -179.97 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.396 0.141 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.6 78.69 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -68.54 -39.23 81.22 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -59.59 -49.08 79.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.257 179.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.32 -36.14 83.15 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.703 179.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.63 59.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.7 m95 -97.39 11.03 38.05 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.11 -31.86 21.65 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.682 178.82 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.62 166.47 13.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.008 2.472 . . . . 0.0 112.581 179.583 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.81 145.58 94.79 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.992 2.461 . . . . 0.0 113.259 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.03 137.54 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.811 2.34 . . . . 0.0 112.602 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.007 -179.966 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.36 0.124 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.74 76.66 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -69.1 -38.1 78.76 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -61.24 -48.93 79.2 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.35 179.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.79 -36.32 83.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.707 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.83 -20.52 59.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.68 179.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.51 11.38 37.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.29 -31.99 21.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.454 178.68 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.4 0.143 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.2 Cg_endo -82.93 166.24 14.94 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.955 2.437 . . . . 0.0 112.649 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.64 145.9 95.23 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.02 2.48 . . . . 0.0 113.217 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.73 18.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.907 2.405 . . . . 0.0 112.583 179.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.0 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.81 -69.42 0.45 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.797 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.29 -51.34 38.3 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.93 77.23 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -68.27 -39.23 82.24 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.128 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.74 -49.2 78.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.4 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.19 -36.42 84.01 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.665 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.68 -18.55 59.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.682 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.94 14.94 7.9 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.49 -96.78 0.36 Allowed Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.39 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.456 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.86 13.05 31.95 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.99 19.3 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.9 -29.35 70.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.705 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -85.99 153.46 57.32 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.7 165.64 13.77 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.907 2.405 . . . . 0.0 112.474 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -61.7 144.34 97.2 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.027 2.485 . . . . 0.0 113.118 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -80.27 119.59 3.87 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.758 2.306 . . . . 0.0 112.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.668 0.271 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.77 9.67 6.46 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.71 -54.17 12.82 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.301 0.096 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.23 81.73 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -66.83 -39.15 87.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.09 -48.83 80.06 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.343 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.37 -36.53 84.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.808 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.2 59.58 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.725 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.6 15.24 8.37 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -96.89 0.37 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.433 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -96.74 8.21 44.81 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 -31.75 25.99 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.307 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.72 -29.95 71.05 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.436 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -85.92 153.6 57.62 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.778 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.22 166.56 14.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.928 2.418 . . . . 0.0 112.742 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.25 144.81 92.48 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.047 2.498 . . . . 0.0 113.319 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -80.53 117.88 3.46 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.852 2.368 . . . . 0.0 112.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.787 0.327 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.63 -53.71 1.24 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.21 -47.32 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.59 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.49 73.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.293 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.42 -38.69 74.62 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.073 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.35 -36.6 84.23 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.702 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.8 60.28 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.65 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.02 15.98 5.45 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.07 -97.42 0.36 Allowed Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.479 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.434 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 50.2 m95 -97.41 11.64 35.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.27 -31.77 20.08 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.721 0.296 . . . . 0.0 110.265 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.72 -29.62 70.81 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -85.85 153.42 57.68 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.91 165.6 13.39 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.937 2.425 . . . . 0.0 112.692 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.17 146.47 95.99 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.194 2.596 . . . . 0.0 113.276 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.68 135.34 10.22 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.816 2.344 . . . . 0.0 112.628 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.039 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.576 0.227 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.82 -74.58 0.08 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.54 -52.26 33.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.661 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.51 75.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.97 -39.18 79.61 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -60.95 -49.13 78.71 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.496 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 mt -64.4 -36.57 84.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.677 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 -18.01 60.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.649 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.17 15.94 8.05 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -96.73 0.37 Allowed Glycine 0 C--N 1.336 0.58 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.425 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.7 12.2 34.53 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.08 -31.82 20.28 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -63.3 -29.11 70.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -85.85 153.58 57.8 Favored Pre-proline 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.57 165.85 13.92 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.932 2.421 . . . . 0.0 112.64 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.31 144.49 95.33 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.028 2.485 . . . . 0.0 113.227 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.28 121.48 3.9 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.875 2.383 . . . . 0.0 112.6 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.077 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.512 0.196 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.342 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.48 -45.89 92.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.22 -33.95 75.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.92 -38.1 76.12 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.142 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -60.74 -48.79 80.23 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.79 -36.54 84.64 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.719 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.65 60.57 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.648 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.85 16.4 8.18 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -96.81 0.35 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.495 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.7 m95 -97.36 10.57 39.27 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.48 -31.52 22.74 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.791 0.329 . . . . 0.0 110.15 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.9 -28.78 70.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.763 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -86.04 153.43 57.16 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.67 166.0 13.69 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.996 2.464 . . . . 0.0 112.726 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.6 146.49 92.64 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.073 2.516 . . . . 0.0 113.342 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.36 152.15 17.9 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.813 2.342 . . . . 0.0 112.494 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.746 0.307 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.3 -0.53 13.83 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.077 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -67.48 -52.24 41.6 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.38 0.133 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.88 81.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.07 -38.33 82.28 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.22 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.36 -48.47 81.62 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.349 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.39 -36.32 83.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.837 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 -17.53 59.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.79 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.95 15.48 9.89 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.02 -96.54 0.32 Allowed Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.528 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.5 m95 -96.98 8.79 43.7 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.1 -31.98 24.98 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p -62.88 -29.54 70.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.563 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -85.92 153.58 57.6 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.697 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.3 166.57 14.14 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.928 2.419 . . . . 0.0 112.715 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.32 145.49 92.89 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.927 2.418 . . . . 0.0 113.208 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -80.65 120.68 3.98 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.787 2.325 . . . . 0.0 112.489 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.107 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 73.93 -69.87 0.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.83 -49.55 65.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.72 76.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.95 -38.73 79.61 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -60.49 -48.93 79.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.24 -36.56 84.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.705 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.69 -18.04 60.58 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.63 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.42 16.34 7.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.9 0.35 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.5 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.9 m95 -96.72 7.06 47.46 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.76 -32.34 31.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.826 0.346 . . . . 0.0 110.164 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.52 -29.86 70.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -86.19 153.46 56.76 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.44 167.66 13.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.85 2.366 . . . . 0.0 112.757 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.4 147.1 93.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.045 2.497 . . . . 0.0 113.361 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.55 144.84 16.1 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.875 2.383 . . . . 0.0 112.559 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.107 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.93 -64.89 0.42 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.34 -50.43 59.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.555 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.29 75.36 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -69.19 -37.93 78.37 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.074 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -61.62 -49.05 78.13 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.68 -36.44 83.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.759 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -18.73 60.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.599 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 15.21 7.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.2 -97.68 0.39 Allowed Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.456 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.25 10.9 38.25 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.71 22.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p -63.4 -29.08 70.44 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.821 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -86.21 153.16 56.52 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.38 166.06 14.18 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.902 2.401 . . . . 0.0 112.576 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.6 146.48 92.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.931 2.42 . . . . 0.0 113.204 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.47 149.4 18.92 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.744 2.296 . . . . 0.0 112.509 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.934 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.732 0.301 . . . . 0.0 111.284 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.19 -64.81 0.98 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.59 -50.74 62.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.94 73.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.197 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 22.6 tp60 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -61.34 -48.98 78.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.393 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.32 -36.76 85.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.647 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.46 60.34 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 15.67 8.82 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -96.8 0.34 Allowed Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.435 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.426 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.0 m95 -97.38 11.65 35.91 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -32.36 21.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.21 -30.57 71.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.593 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -86.22 153.73 56.85 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.725 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.07 166.53 14.55 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.917 2.411 . . . . 0.0 112.747 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.72 145.87 95.07 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.168 2.579 . . . . 0.0 113.345 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.81 148.05 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.853 2.369 . . . . 0.0 112.567 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.115 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.785 0.326 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.07 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.34 -54.33 13.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.67 84.07 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.55 -39.09 88.38 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.223 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -59.5 -49.1 79.08 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.201 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.29 -36.7 84.95 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.706 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.36 59.81 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.685 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 15.18 9.7 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.505 0.193 . . . . 0.0 111.484 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.12 -96.56 0.33 Allowed Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.3 8.46 44.52 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.38 -31.85 26.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.767 0.318 . . . . 0.0 110.189 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.06 -29.27 70.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.703 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -86.01 153.32 57.2 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.688 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.73 166.51 13.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.991 2.461 . . . . 0.0 112.49 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.12 144.71 92.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.991 2.46 . . . . 0.0 113.32 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -81.25 152.72 18.36 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.989 2.459 . . . . 0.0 112.576 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.007 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.535 0.207 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.1 -65.81 1.12 Allowed 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.1 -49.79 63.75 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.506 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.33 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.95 -38.14 76.06 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.21 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.88 -36.13 82.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.695 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 -17.43 59.55 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.637 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.96 15.54 8.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.461 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.42 -97.5 0.4 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.446 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.9 m95 -97.0 8.55 44.25 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.6 -32.2 25.88 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -61.85 -30.98 71.21 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.443 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.0 ptt-85 -86.19 153.48 56.78 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.08 166.73 14.47 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.937 2.424 . . . . 0.0 112.786 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.45 147.0 93.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.051 2.501 . . . . 0.0 113.345 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.97 151.77 18.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.096 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.595 0.236 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.77 78.33 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.313 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.02 -46.55 88.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.657 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.0 76.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.439 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -69.64 -37.67 76.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -61.25 -48.98 78.96 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.23 -36.35 83.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.91 -17.21 59.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 15.35 9.69 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.38 -97.49 0.39 Allowed Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.414 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.1 m95 -97.52 11.42 36.91 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.77 -31.96 20.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 110.226 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.35 -30.33 71.1 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 -85.99 153.29 57.23 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.683 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.2 Cg_endo -82.92 166.41 14.89 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.907 2.404 . . . . 0.0 112.833 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.47 147.61 94.6 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -81.3 129.82 6.88 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.855 2.37 . . . . 0.0 112.592 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.001 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.6 -62.49 1.25 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -66.64 -50.53 62.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.538 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.03 74.9 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -69.68 -38.87 77.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.11 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.14 -48.95 79.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.686 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.7 -18.45 59.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.47 15.2 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.4 -97.12 0.37 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.444 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.7 m95 -97.52 11.96 35.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.03 -32.14 20.17 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.47 -29.91 70.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -85.22 153.39 59.43 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.623 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.8 Cg_endo -83.67 165.9 13.72 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.906 2.404 . . . . 0.0 112.641 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.25 144.96 96.15 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.988 2.458 . . . . 0.0 113.251 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -80.84 151.59 18.94 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.841 2.361 . . . . 0.0 112.504 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.2 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.555 0.217 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.94 -67.79 0.93 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -68.56 -51.26 44.75 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.47 76.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.254 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.28 -38.71 78.48 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.112 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.04 -48.9 79.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.465 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.63 -35.9 82.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.749 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -20.23 59.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.65 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.17 15.76 5.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.46 -96.71 0.36 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.8 m95 -97.8 13.64 29.77 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.51 18.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.344 . . . . 0.0 110.082 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.609 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -85.75 153.64 58.11 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.2 Cg_endo -83.82 165.08 13.71 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.975 2.45 . . . . 0.0 112.639 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.1 144.46 95.98 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 0.0 113.361 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.43 18.64 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.893 2.396 . . . . 0.0 112.537 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.049 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.877 0.37 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.81 -67.93 0.09 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -67.39 -50.63 58.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.656 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.42 75.81 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -69.58 -37.63 77.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.66 -48.96 78.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.319 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.72 -36.15 82.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.617 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.81 -18.37 60.47 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.622 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.84 16.79 6.34 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.64 -97.52 0.41 Allowed Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.462 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.9 m95 -97.46 11.43 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.74 -31.19 21.09 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.83 -28.52 69.91 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.66 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -85.96 153.23 57.26 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.67 165.65 13.82 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.922 2.415 . . . . 0.0 112.645 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.36 146.66 93.64 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.052 2.502 . . . . 0.0 113.319 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.73 145.12 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.856 2.371 . . . . 0.0 112.641 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.66 0.267 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.57 -40.73 66.4 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -61.99 -46.56 88.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.3 -33.74 75.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.477 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -69.65 -38.99 77.35 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.111 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -59.97 -49.13 78.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.434 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.69 -36.44 84.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.752 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.99 -18.31 60.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.14 16.01 7.89 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.77 0.35 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.446 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.452 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 53.7 m95 -97.29 11.76 35.39 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.89 -31.48 20.71 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.63 -28.89 70.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.679 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -85.97 153.66 57.5 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.72 165.62 13.73 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.92 2.413 . . . . 0.0 112.558 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -62.28 146.35 95.86 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.05 2.5 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -81.75 152.02 17.02 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.815 2.343 . . . . 0.0 112.611 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.016 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.772 0.32 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.13 -5.72 27.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.119 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -66.56 -50.25 63.74 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.355 0.121 . . . . 0.0 111.053 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.59 81.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.428 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.32 -38.54 81.66 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.253 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.94 -48.55 81.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.193 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.92 -36.28 83.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.61 59.72 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.625 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.09 15.42 8.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 -96.52 0.34 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.427 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 58.1 m95 -97.17 11.5 36.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.39 21.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 p -62.23 -30.01 70.8 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.58 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -86.35 153.89 56.6 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.87 166.08 15.14 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.872 2.381 . . . . 0.0 112.695 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.92 146.21 94.79 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.993 2.462 . . . . 0.0 113.261 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.97 151.85 18.66 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.845 2.363 . . . . 0.0 112.521 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.096 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.597 0.236 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.68 -66.44 0.16 Allowed 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.61 -50.37 58.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.523 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.77 76.62 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.154 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.84 -48.72 80.54 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.314 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.35 -36.24 83.48 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.789 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.91 60.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.646 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.7 16.47 5.65 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.5 -96.69 0.36 Allowed Glycine 0 C--N 1.336 0.58 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.426 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.443 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.4 m95 -97.03 9.05 43.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.96 -31.2 25.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 110.031 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.58 -29.31 70.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.611 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -86.42 153.7 56.29 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.769 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.46 166.41 13.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.945 2.43 . . . . 0.0 112.677 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.7 146.03 91.78 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.979 2.452 . . . . 0.0 113.205 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -80.8 152.04 19.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.837 2.358 . . . . 0.0 112.537 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.072 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.22 -68.8 0.65 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -68.47 -51.31 44.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.67 76.58 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 14.5 tp60 -68.82 -38.65 80.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.179 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.78 -48.63 80.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.325 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.3 -36.29 83.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.757 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.77 -16.99 59.31 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.67 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.35 15.65 8.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.517 0.199 . . . . 0.0 111.406 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.12 -97.32 0.36 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.436 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.434 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.33 10.5 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.4 -32.26 22.46 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.03 -30.55 71.04 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.49 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -86.39 153.86 56.46 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.795 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.434 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.99 166.27 14.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.92 2.413 . . . . 0.0 112.671 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -62.89 146.02 94.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.032 2.488 . . . . 0.0 113.282 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -80.53 150.45 19.29 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.841 2.36 . . . . 0.0 112.62 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.587 0.232 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.73 -40.47 5.28 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.334 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.41 -46.06 91.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.774 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.497 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -70.11 -37.5 75.38 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.189 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -61.67 -49.0 78.28 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 mt -64.56 -36.99 86.0 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.767 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.692 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.23 16.51 8.46 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -97.16 0.38 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.545 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.2 m95 -96.78 11.02 37.13 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -31.91 21.29 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.86 -30.09 71.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -85.78 153.84 58.15 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.711 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.36 166.16 14.19 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.963 2.442 . . . . 0.0 112.805 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.69 147.43 92.65 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.121 2.547 . . . . 0.0 113.398 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -80.6 146.75 17.16 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.88 2.387 . . . . 0.0 112.482 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 0.0 111.101 -179.91 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.66 -67.42 0.23 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.67 -51.24 52.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.641 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.86 76.99 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.242 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -69.32 -39.22 78.36 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -59.93 -48.61 80.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.392 179.128 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.46 -36.37 83.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.85 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -19.84 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 16.06 5.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.6 0.34 Allowed Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -97.26 10.04 40.59 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.09 -31.3 23.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 110.131 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.69 -28.89 70.21 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.752 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -86.29 153.73 56.66 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.73 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.86 166.47 13.2 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.636 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.6 145.83 92.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.009 2.473 . . . . 0.0 113.303 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.63 134.55 9.89 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.891 2.394 . . . . 0.0 112.49 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.139 179.995 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.571 0.225 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.03 -19.69 22.91 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.781 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.26 -47.8 80.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.843 -0.162 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.52 80.32 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.514 178.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -68.69 -37.7 79.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -60.92 -48.98 79.34 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.289 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.61 -36.74 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.705 179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -17.41 60.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.687 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 16.36 8.55 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.88 -96.96 0.4 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.527 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.414 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -96.35 8.16 44.66 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.35 -32.16 26.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.695 0.283 . . . . 0.0 110.293 178.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p -62.71 -30.01 71.1 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -85.55 153.44 58.53 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.696 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.21 166.72 14.25 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.901 2.401 . . . . 0.0 112.818 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.67 146.79 92.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.059 2.506 . . . . 0.0 113.332 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.4 151.97 17.75 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.918 2.412 . . . . 0.0 112.55 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.093 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.795 0.331 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.98 9.14 26.54 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.826 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -69.78 -53.31 18.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.355 0.122 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.22 82.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -67.35 -38.28 84.58 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 178.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.0 -48.72 80.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.58 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.09 -17.7 59.5 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.677 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.99 15.04 9.23 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.15 -96.72 0.33 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.488 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.455 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.5 m95 -97.73 10.94 38.76 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.26 21.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 0.0 110.164 178.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -64.05 -28.32 69.71 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.776 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -85.64 153.38 58.27 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.455 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.84 165.45 13.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.932 2.421 . . . . 0.0 112.573 179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.2 144.62 92.35 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 123.001 2.467 . . . . 0.0 113.29 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.87 18.81 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.848 2.366 . . . . 0.0 112.586 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.731 0.301 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.4 -19.15 13.67 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.89 -48.53 76.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.45 0.167 . . . . 0.0 111.088 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.65 78.45 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.547 178.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -69.22 -38.01 78.35 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.188 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -61.24 -48.93 79.22 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.349 179.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.4 mt -64.87 -35.99 82.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.732 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.55 59.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.662 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.11 16.3 7.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.46 -96.55 0.35 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.477 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.448 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.9 m95 -97.44 10.92 38.45 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.92 -31.84 21.93 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.282 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.3 -29.07 70.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -85.81 153.84 58.07 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.625 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.97 165.97 13.17 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.736 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.02 145.11 94.05 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.068 2.512 . . . . 0.0 113.394 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -80.96 139.16 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.888 2.392 . . . . 0.0 112.584 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.268 179.982 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.4 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.33 -72.76 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.289 0.368 . . . . 0.0 111.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.99 -52.55 27.69 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . . . -65.16 -33.0 74.97 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 178.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -69.27 -38.74 78.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.091 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -60.79 -48.78 80.27 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.97 -36.59 84.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.633 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.42 -18.67 59.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.641 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 15.11 7.49 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -97.37 0.38 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.462 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.68 11.36 37.34 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.56 -31.13 21.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.138 178.249 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.65 -28.83 70.18 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.661 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -86.16 153.42 56.82 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.462 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.63 165.94 13.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.959 2.439 . . . . 0.0 112.535 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.03 145.45 94.19 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.948 2.432 . . . . 0.0 113.2 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.68 120.71 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.827 2.351 . . . . 0.0 112.615 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.984 179.913 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.71 -32.94 5.67 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.829 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.8 -46.94 87.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.61 75.74 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.533 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -70.7 -36.87 73.47 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.26 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.84 -48.53 80.15 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.275 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.89 -37.11 86.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.755 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -17.45 60.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.728 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.9 15.62 9.59 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.05 -97.19 0.35 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.533 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 51.2 m95 -97.57 11.54 36.54 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.07 -31.32 20.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.777 0.323 . . . . 0.0 110.175 178.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.83 -28.8 70.1 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.704 178.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -85.01 153.19 59.89 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.5 Cg_endo -84.15 165.99 12.84 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.889 2.392 . . . . 0.0 112.585 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.88 146.32 94.9 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.948 2.432 . . . . 0.0 113.277 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.61 132.68 9.0 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.817 2.345 . . . . 0.0 112.53 179.366 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.97 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.493 0.187 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.12 -45.04 20.81 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.31 -46.86 88.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.55 75.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.527 178.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.72 -37.34 73.52 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.25 178.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.09 -48.92 79.47 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.6 -36.3 83.78 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.49 -17.22 59.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.619 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 14.65 10.11 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -96.41 0.35 Allowed Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.406 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.2 m95 -97.61 12.41 33.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.1 -32.58 19.84 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -30.83 71.03 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.482 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -85.98 154.02 57.71 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.4 Cg_endo -83.15 165.9 14.67 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.976 2.451 . . . . 0.0 112.805 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.65 146.0 95.23 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.095 2.53 . . . . 0.0 113.229 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -80.9 145.87 16.01 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.804 2.336 . . . . 0.0 112.483 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.144 -179.967 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 120.808 0.337 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.91 4.63 49.53 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.011 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.63 -52.06 35.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.312 0.101 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.43 87.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.303 178.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.95 -39.06 90.12 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.289 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -60.64 -49.02 79.19 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.51 -36.19 83.38 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.736 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.29 59.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.654 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.39 15.2 8.14 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.23 -96.33 0.33 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.45 11.98 34.86 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.87 -32.06 20.43 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.38 -30.44 71.2 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.509 178.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -86.57 153.8 55.94 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.76 165.86 15.45 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.917 2.412 . . . . 0.0 112.784 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.11 145.09 93.62 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.017 2.478 . . . . 0.0 113.329 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.13 151.24 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.871 2.381 . . . . 0.0 112.534 179.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.106 -179.97 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.595 0.236 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.78 -75.09 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.521 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -67.77 -50.42 57.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.6 78.69 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -68.54 -39.23 81.22 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -59.59 -49.08 79.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.257 179.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.32 -36.14 83.15 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.703 179.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.63 59.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.48 15.45 7.9 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.694 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -97.01 0.36 Allowed Glycine 0 C--N 1.338 0.642 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.7 m95 -97.39 11.03 38.05 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.11 -31.86 21.65 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.01 -29.34 70.75 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.682 178.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -85.41 153.32 58.85 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.62 166.47 13.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.008 2.472 . . . . 0.0 112.581 179.583 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.81 145.58 94.79 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.992 2.461 . . . . 0.0 113.259 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.03 137.54 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.811 2.34 . . . . 0.0 112.602 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.007 -179.966 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.594 0.235 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.02 -75.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.395 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.61 -51.58 40.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.869 -0.15 . . . . 0.0 110.708 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.74 76.66 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -69.1 -38.1 78.76 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -61.24 -48.93 79.2 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.35 179.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.79 -36.32 83.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.707 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.83 -20.52 59.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.68 179.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.33 14.99 5.73 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.703 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.99 -96.64 0.32 Allowed Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.35 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.51 11.38 37.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.29 -31.99 21.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -61.95 -30.69 71.08 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 ptt-85 -86.83 154.18 55.45 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.2 Cg_endo -82.93 166.24 14.94 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.955 2.437 . . . . 0.0 112.649 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.64 145.9 95.23 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.02 2.48 . . . . 0.0 113.217 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.73 18.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.907 2.405 . . . . 0.0 112.583 179.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.0 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.462 0.175 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.93 77.23 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -68.27 -39.23 82.24 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.128 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.74 -49.2 78.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.4 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.19 -36.42 84.01 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.665 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.68 -18.55 59.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.682 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.39 -0.284 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.86 13.05 31.95 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.99 19.3 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.705 178.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.7 ptt85 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.357 0.123 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.7 165.64 13.77 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.907 2.405 . . . . 0.0 112.474 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -61.7 144.34 97.2 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.027 2.485 . . . . 0.0 113.118 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -80.27 119.59 3.87 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.758 2.306 . . . . 0.0 112.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.301 0.096 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.23 81.73 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -66.83 -39.15 87.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.09 -48.83 80.06 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.343 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.37 -36.53 84.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.808 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.2 59.58 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.725 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -96.74 8.21 44.81 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 -31.75 25.99 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.307 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.436 178.706 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.376 0.132 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.22 166.56 14.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.928 2.418 . . . . 0.0 112.742 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.25 144.81 92.48 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.047 2.498 . . . . 0.0 113.319 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -80.53 117.88 3.46 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.852 2.368 . . . . 0.0 112.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.446 0.165 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.49 73.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.293 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.42 -38.69 74.62 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.073 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.35 -36.6 84.23 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.702 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.8 60.28 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.65 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.178 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -97.41 11.64 35.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.27 -31.77 20.08 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.721 0.296 . . . . 0.0 110.265 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.259 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 178.805 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 25.3 ptt85 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.9 Cg_endo -83.91 165.6 13.39 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.937 2.425 . . . . 0.0 112.692 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.17 146.47 95.99 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.194 2.596 . . . . 0.0 113.276 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.68 135.34 10.22 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.816 2.344 . . . . 0.0 112.628 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.039 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.366 0.127 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.51 75.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.97 -39.18 79.61 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -60.95 -49.13 78.71 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.496 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 mt -64.4 -36.57 84.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.677 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 -18.01 60.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.649 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.7 12.2 34.53 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.08 -31.82 20.28 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 178.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.374 0.131 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.57 165.85 13.92 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.932 2.421 . . . . 0.0 112.64 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.31 144.49 95.33 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.028 2.485 . . . . 0.0 113.227 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.28 121.48 3.9 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.875 2.383 . . . . 0.0 112.6 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.077 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.506 0.193 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.22 -33.95 75.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.92 -38.1 76.12 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.142 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -60.74 -48.79 80.23 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.79 -36.54 84.64 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.719 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.65 60.57 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.648 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.413 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.7 m95 -97.36 10.57 39.27 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.48 -31.52 22.74 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.791 0.329 . . . . 0.0 110.15 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.763 178.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.67 166.0 13.69 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.996 2.464 . . . . 0.0 112.726 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.6 146.49 92.64 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.073 2.516 . . . . 0.0 113.342 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.36 152.15 17.9 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.813 2.342 . . . . 0.0 112.494 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.38 0.133 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.88 81.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.07 -38.33 82.28 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.22 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.36 -48.47 81.62 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.349 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.39 -36.32 83.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.837 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 -17.53 59.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.79 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.218 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -96.98 8.79 43.7 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.1 -31.98 24.98 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.563 178.828 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.387 0.137 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.3 166.57 14.14 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.928 2.419 . . . . 0.0 112.715 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.32 145.49 92.89 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.927 2.418 . . . . 0.0 113.208 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -80.65 120.68 3.98 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.787 2.325 . . . . 0.0 112.489 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.107 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 110.64 -0.134 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.72 76.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.95 -38.73 79.61 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -60.49 -48.93 79.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.24 -36.56 84.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.705 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.69 -18.04 60.58 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.63 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -96.72 7.06 47.46 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.76 -32.34 31.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.826 0.346 . . . . 0.0 110.164 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 178.801 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.44 167.66 13.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.85 2.366 . . . . 0.0 112.757 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.4 147.1 93.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.045 2.497 . . . . 0.0 113.361 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.55 144.84 16.1 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.875 2.383 . . . . 0.0 112.559 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.107 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.29 75.36 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -69.19 -37.93 78.37 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.074 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -61.62 -49.05 78.13 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.68 -36.44 83.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.759 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -18.73 60.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.599 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.22 0 N-CA-C 112.401 -0.28 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.25 10.9 38.25 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.71 22.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.531 0.245 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.821 178.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.38 166.06 14.18 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.902 2.401 . . . . 0.0 112.576 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.6 146.48 92.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.931 2.42 . . . . 0.0 113.204 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.47 149.4 18.92 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.744 2.296 . . . . 0.0 112.509 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.934 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.94 73.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.197 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -61.34 -48.98 78.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.393 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.32 -36.76 85.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.647 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.46 60.34 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -97.38 11.65 35.91 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -32.36 21.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.227 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.593 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 20.3 ptt-85 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.387 0.137 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.5 Cg_endo -83.07 166.53 14.55 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.917 2.411 . . . . 0.0 112.747 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.7 Cg_endo -62.72 145.87 95.07 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.168 2.579 . . . . 0.0 113.345 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.4 Cg_endo -80.81 148.05 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.853 2.369 . . . . 0.0 112.567 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.115 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.287 0.089 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.67 84.07 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.55 -39.09 88.38 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.223 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -59.5 -49.1 79.08 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.201 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.29 -36.7 84.95 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.706 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.36 59.81 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.685 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.505 0.193 . . . . 0.0 111.484 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.401 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.3 8.46 44.52 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.38 -31.85 26.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.767 0.318 . . . . 0.0 110.189 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.703 178.793 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.73 166.51 13.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.991 2.461 . . . . 0.0 112.49 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.12 144.71 92.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.991 2.46 . . . . 0.0 113.32 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -81.25 152.72 18.36 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.989 2.459 . . . . 0.0 112.576 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.007 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.33 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.95 -38.14 76.06 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.21 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.88 -36.13 82.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.695 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 -17.43 59.55 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.637 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.461 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -97.0 8.55 44.25 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.6 -32.2 25.88 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.233 0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.443 178.688 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.0 ptt-85 . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 120.388 0.137 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.4 Cg_endo -83.08 166.73 14.47 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.937 2.424 . . . . 0.0 112.786 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -63.45 147.0 93.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.051 2.501 . . . . 0.0 113.345 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.97 151.77 18.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.096 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.515 0.197 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.0 76.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.439 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -69.64 -37.67 76.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -61.25 -48.98 78.96 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.23 -36.35 83.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.91 -17.21 59.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.173 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -97.52 11.42 36.91 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.77 -31.96 20.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 110.226 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 178.743 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.92 166.41 14.89 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.907 2.404 . . . . 0.0 112.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.47 147.61 94.6 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -81.3 129.82 6.88 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.855 2.37 . . . . 0.0 112.592 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.001 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.03 74.9 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -69.68 -38.87 77.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.11 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.14 -48.95 79.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.686 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.7 -18.45 59.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.7 m95 -97.52 11.96 35.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.03 -32.14 20.17 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 178.811 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.0 ptt85 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.8 Cg_endo -83.67 165.9 13.72 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.906 2.404 . . . . 0.0 112.641 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -62.25 144.96 96.15 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.988 2.458 . . . . 0.0 113.251 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 37.2 Cg_endo -80.84 151.59 18.94 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.841 2.361 . . . . 0.0 112.504 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.2 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.46 0.171 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.47 76.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.254 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.28 -38.71 78.48 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.112 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.04 -48.9 79.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.465 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.63 -35.9 82.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.749 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -20.23 59.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.65 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.193 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.8 m95 -97.8 13.64 29.77 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.51 18.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.344 . . . . 0.0 110.082 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.532 0.25 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.609 178.77 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.3 ptt85 . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.2 Cg_endo -83.82 165.08 13.71 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.975 2.45 . . . . 0.0 112.639 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 16.6 Cg_endo -62.1 144.46 95.98 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 0.0 113.361 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.43 18.64 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.893 2.396 . . . . 0.0 112.537 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.049 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.398 0.142 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.42 75.81 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -69.58 -37.63 77.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.66 -48.96 78.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.319 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.72 -36.15 82.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.617 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.81 -18.37 60.47 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.622 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.183 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.9 m95 -97.46 11.43 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.74 -31.19 21.09 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.66 178.86 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.386 0.136 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.67 165.65 13.82 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.922 2.415 . . . . 0.0 112.645 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.9 Cg_endo -63.36 146.66 93.64 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.052 2.502 . . . . 0.0 113.319 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 34.0 Cg_endo -80.73 145.12 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.856 2.371 . . . . 0.0 112.641 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.521 0.201 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.3 -33.74 75.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.477 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -69.65 -38.99 77.35 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.111 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -59.97 -49.13 78.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.434 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.69 -36.44 84.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.752 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.99 -18.31 60.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 53.7 m95 -97.29 11.76 35.39 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.89 -31.48 20.71 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.679 178.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.325 0.107 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.72 165.62 13.73 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.92 2.413 . . . . 0.0 112.558 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -62.28 146.35 95.86 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.05 2.5 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -81.75 152.02 17.02 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.815 2.343 . . . . 0.0 112.611 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.016 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.355 0.121 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.59 81.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.428 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.32 -38.54 81.66 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.253 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.94 -48.55 81.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.193 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.92 -36.28 83.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.61 59.72 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.625 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 58.1 m95 -97.17 11.5 36.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.39 21.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.58 178.758 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.418 0.151 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.87 166.08 15.14 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.872 2.381 . . . . 0.0 112.695 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.92 146.21 94.79 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.993 2.462 . . . . 0.0 113.261 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.97 151.85 18.66 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.845 2.363 . . . . 0.0 112.521 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.096 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.463 0.203 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.77 76.62 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.154 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.84 -48.72 80.54 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.314 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.35 -36.24 83.48 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.789 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.91 60.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.646 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.169 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.4 m95 -97.03 9.05 43.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.96 -31.2 25.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 110.031 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.611 178.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 11.0 ptt85 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.371 0.129 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.46 166.41 13.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.945 2.43 . . . . 0.0 112.677 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.0 Cg_endo -63.7 146.03 91.78 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.979 2.452 . . . . 0.0 113.205 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_endo -80.8 152.04 19.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.837 2.358 . . . . 0.0 112.537 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.072 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.67 76.58 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -68.82 -38.65 80.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.179 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.78 -48.63 80.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.325 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.3 -36.29 83.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.757 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.77 -16.99 59.31 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.67 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.517 0.199 . . . . 0.0 111.406 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -97.33 10.5 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.4 -32.26 22.46 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.49 178.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.3 ptt-85 . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.363 0.125 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.3 Cg_endo -82.99 166.27 14.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.92 2.413 . . . . 0.0 112.671 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.9 Cg_endo -62.89 146.02 94.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.032 2.488 . . . . 0.0 113.282 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 35.3 Cg_endo -80.53 150.45 19.29 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.841 2.36 . . . . 0.0 112.62 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.536 0.208 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.497 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -70.11 -37.5 75.38 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.189 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -61.67 -49.0 78.28 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 mt -64.56 -36.99 86.0 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.767 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.692 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.2 m95 -96.78 11.02 37.13 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -31.91 21.29 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 178.762 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.356 0.122 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.36 166.16 14.19 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.963 2.442 . . . . 0.0 112.805 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.69 147.43 92.65 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.121 2.547 . . . . 0.0 113.398 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -80.6 146.75 17.16 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.88 2.387 . . . . 0.0 112.482 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 0.0 111.101 -179.91 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.487 0.184 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.86 76.99 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.242 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -69.32 -39.22 78.36 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -59.93 -48.61 80.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.392 179.128 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.46 -36.37 83.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.85 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -19.84 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -97.26 10.04 40.59 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.09 -31.3 23.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 110.131 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.752 178.851 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.334 0.111 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.86 166.47 13.2 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.636 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.6 145.83 92.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.009 2.473 . . . . 0.0 113.303 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.63 134.55 9.89 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.891 2.394 . . . . 0.0 112.49 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.139 179.995 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.427 0.156 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.52 80.32 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.514 178.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -68.69 -37.7 79.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -60.92 -48.98 79.34 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.289 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.61 -36.74 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.705 179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -17.41 60.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.687 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -96.35 8.16 44.66 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.35 -32.16 26.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.695 0.283 . . . . 0.0 110.293 178.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.531 0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 178.758 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.397 0.142 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.21 166.72 14.25 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.901 2.401 . . . . 0.0 112.818 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.67 146.79 92.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.059 2.506 . . . . 0.0 113.332 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.4 151.97 17.75 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.918 2.412 . . . . 0.0 112.55 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.093 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.355 0.122 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.22 82.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -67.35 -38.28 84.58 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 178.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.0 -48.72 80.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.58 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.09 -17.7 59.5 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.677 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.5 m95 -97.73 10.94 38.76 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.26 21.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 0.0 110.164 178.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.776 178.926 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.35 0.119 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.84 165.45 13.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.932 2.421 . . . . 0.0 112.573 179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.2 144.62 92.35 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 123.001 2.467 . . . . 0.0 113.29 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.87 18.81 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.848 2.366 . . . . 0.0 112.586 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.45 0.167 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.65 78.45 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.547 178.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -69.22 -38.01 78.35 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.188 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -61.24 -48.93 79.22 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.349 179.197 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.4 mt -64.87 -35.99 82.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.732 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.55 59.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.662 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.217 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.9 m95 -97.44 10.92 38.45 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.92 -31.84 21.93 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.282 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 178.923 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.399 0.143 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.97 165.97 13.17 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.736 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.02 145.11 94.05 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.068 2.512 . . . . 0.0 113.394 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -80.96 139.16 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.888 2.392 . . . . 0.0 112.584 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.268 179.982 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.337 0.113 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.0 74.97 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 178.613 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -69.27 -38.74 78.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.091 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -60.79 -48.78 80.27 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.97 -36.59 84.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.633 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.42 -18.67 59.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.641 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.212 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.68 11.36 37.34 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.56 -31.13 21.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.138 178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.661 178.819 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.345 0.117 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.63 165.94 13.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.959 2.439 . . . . 0.0 112.535 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.03 145.45 94.19 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.948 2.432 . . . . 0.0 113.2 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.68 120.71 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.827 2.351 . . . . 0.0 112.615 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.984 179.913 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.524 0.202 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.61 75.74 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.533 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -70.7 -36.87 73.47 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.26 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.84 -48.53 80.15 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.275 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.89 -37.11 86.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.755 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -17.45 60.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.728 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 51.2 m95 -97.57 11.54 36.54 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.07 -31.32 20.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.777 0.323 . . . . 0.0 110.175 178.374 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.704 178.914 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.599 -0.149 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.5 Cg_endo -84.15 165.99 12.84 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.889 2.392 . . . . 0.0 112.585 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.88 146.32 94.9 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.948 2.432 . . . . 0.0 113.277 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.61 132.68 9.0 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.817 2.345 . . . . 0.0 112.53 179.366 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.97 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.514 0.197 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.55 75.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.527 178.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.72 -37.34 73.52 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.25 178.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.09 -48.92 79.47 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.125 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.6 -36.3 83.78 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.335 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.49 -17.22 59.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.619 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 179.655 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -97.61 12.41 33.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.1 -32.58 19.84 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.482 178.688 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.346 0.117 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.15 165.9 14.67 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.976 2.451 . . . . 0.0 112.805 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.65 146.0 95.23 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.095 2.53 . . . . 0.0 113.229 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -80.9 145.87 16.01 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.804 2.336 . . . . 0.0 112.483 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.144 -179.967 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.312 0.101 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.43 87.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.303 178.75 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.95 -39.06 90.12 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.289 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -60.64 -49.02 79.19 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.51 -36.19 83.38 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.736 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.29 59.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.654 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.409 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.45 11.98 34.86 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.87 -32.06 20.43 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.274 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.249 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.509 178.76 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.388 0.137 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.76 165.86 15.45 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.917 2.412 . . . . 0.0 112.784 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.11 145.09 93.62 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.017 2.478 . . . . 0.0 113.329 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.13 151.24 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.871 2.381 . . . . 0.0 112.534 179.213 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.106 -179.97 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.396 0.141 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.6 78.69 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -68.54 -39.23 81.22 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -59.59 -49.08 79.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.257 179.09 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.32 -36.14 83.15 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.703 179.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.63 59.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.694 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -97.39 11.03 38.05 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.11 -31.86 21.65 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.312 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.682 178.82 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.62 166.47 13.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.008 2.472 . . . . 0.0 112.581 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.81 145.58 94.79 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.992 2.461 . . . . 0.0 113.259 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.03 137.54 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.811 2.34 . . . . 0.0 112.602 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.007 -179.966 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.36 0.124 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.74 76.66 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.625 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -69.1 -38.1 78.76 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -61.24 -48.93 79.2 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.35 179.096 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.79 -36.32 83.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.707 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.83 -20.52 59.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.68 179.276 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -97.51 11.38 37.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.29 -31.99 21.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.454 178.68 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 ptt-85 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.4 0.143 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.2 Cg_endo -82.93 166.24 14.94 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.955 2.437 . . . . 0.0 112.649 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.6 Cg_endo -62.64 145.9 95.23 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.02 2.48 . . . . 0.0 113.217 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.73 18.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.907 2.405 . . . . 0.0 112.583 179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.0 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.81 -69.42 0.45 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.797 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.29 -51.34 38.3 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.93 77.23 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -68.27 -39.23 82.24 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.128 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.74 -49.2 78.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.4 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.19 -36.42 84.01 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.665 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.68 -18.55 59.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.682 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.94 14.94 7.9 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.49 -96.78 0.36 Allowed Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.39 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.86 13.05 31.95 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.99 19.3 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.9 -29.35 70.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.705 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.7 ptt85 -85.99 153.46 57.32 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.7 165.64 13.77 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.907 2.405 . . . . 0.0 112.474 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -61.7 144.34 97.2 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.027 2.485 . . . . 0.0 113.118 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -80.27 119.59 3.87 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.758 2.306 . . . . 0.0 112.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.668 0.271 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.77 9.67 6.46 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.71 -54.17 12.82 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.301 0.096 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.23 81.73 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -66.83 -39.15 87.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.09 -48.83 80.06 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.343 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.37 -36.53 84.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.808 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.2 59.58 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.725 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.6 15.24 8.37 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -96.89 0.37 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.433 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -96.74 8.21 44.81 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 -31.75 25.99 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.307 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.72 -29.95 71.05 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.436 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -85.92 153.6 57.62 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.778 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.22 166.56 14.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.928 2.418 . . . . 0.0 112.742 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.25 144.81 92.48 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.047 2.498 . . . . 0.0 113.319 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -80.53 117.88 3.46 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.852 2.368 . . . . 0.0 112.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.787 0.327 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.63 -53.71 1.24 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.21 -47.32 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.59 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.49 73.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.293 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.42 -38.69 74.62 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.073 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.35 -36.6 84.23 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.702 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.8 60.28 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.65 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.02 15.98 5.45 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.07 -97.42 0.36 Allowed Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.479 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -97.41 11.64 35.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.27 -31.77 20.08 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.721 0.296 . . . . 0.0 110.265 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.72 -29.62 70.81 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 25.3 ptt85 -85.85 153.42 57.68 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.9 Cg_endo -83.91 165.6 13.39 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.937 2.425 . . . . 0.0 112.692 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.17 146.47 95.99 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.194 2.596 . . . . 0.0 113.276 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.68 135.34 10.22 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.816 2.344 . . . . 0.0 112.628 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.039 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.576 0.227 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.82 -74.58 0.08 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.54 -52.26 33.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.661 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.51 75.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.97 -39.18 79.61 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -60.95 -49.13 78.71 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.496 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 mt -64.4 -36.57 84.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.677 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 -18.01 60.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.649 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.17 15.94 8.05 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -96.73 0.37 Allowed Glycine 0 C--N 1.336 0.58 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.425 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.7 12.2 34.53 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.08 -31.82 20.28 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -63.3 -29.11 70.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -85.85 153.58 57.8 Favored Pre-proline 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.57 165.85 13.92 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.932 2.421 . . . . 0.0 112.64 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.31 144.49 95.33 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.028 2.485 . . . . 0.0 113.227 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.28 121.48 3.9 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.875 2.383 . . . . 0.0 112.6 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.077 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.512 0.196 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.342 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.48 -45.89 92.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.22 -33.95 75.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.92 -38.1 76.12 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.142 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -60.74 -48.79 80.23 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.79 -36.54 84.64 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.719 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.65 60.57 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.648 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.85 16.4 8.18 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -96.81 0.35 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.495 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.413 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.7 m95 -97.36 10.57 39.27 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.48 -31.52 22.74 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.791 0.329 . . . . 0.0 110.15 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.9 -28.78 70.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.763 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -86.04 153.43 57.16 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.67 166.0 13.69 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.996 2.464 . . . . 0.0 112.726 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.6 146.49 92.64 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.073 2.516 . . . . 0.0 113.342 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.36 152.15 17.9 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.813 2.342 . . . . 0.0 112.494 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.746 0.307 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.3 -0.53 13.83 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.077 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -67.48 -52.24 41.6 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.38 0.133 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.88 81.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.07 -38.33 82.28 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.22 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.36 -48.47 81.62 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.349 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.39 -36.32 83.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.837 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 -17.53 59.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.79 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.95 15.48 9.89 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.02 -96.54 0.32 Allowed Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.528 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -96.98 8.79 43.7 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.1 -31.98 24.98 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p -62.88 -29.54 70.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.563 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -85.92 153.58 57.6 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.697 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.3 166.57 14.14 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.928 2.419 . . . . 0.0 112.715 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.32 145.49 92.89 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.927 2.418 . . . . 0.0 113.208 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -80.65 120.68 3.98 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.787 2.325 . . . . 0.0 112.489 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.107 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 1.5 m-20 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 73.93 -69.87 0.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.299 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.83 -49.55 65.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.72 76.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.95 -38.73 79.61 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -60.49 -48.93 79.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.24 -36.56 84.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.705 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.69 -18.04 60.58 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.63 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.42 16.34 7.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.9 0.35 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.5 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -96.72 7.06 47.46 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.76 -32.34 31.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.826 0.346 . . . . 0.0 110.164 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.52 -29.86 70.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -86.19 153.46 56.76 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.44 167.66 13.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.85 2.366 . . . . 0.0 112.757 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.4 147.1 93.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.045 2.497 . . . . 0.0 113.361 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.55 144.84 16.1 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.875 2.383 . . . . 0.0 112.559 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.107 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.93 -64.89 0.42 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.34 -50.43 59.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.555 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.29 75.36 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -69.19 -37.93 78.37 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.074 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -61.62 -49.05 78.13 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.68 -36.44 83.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.759 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -18.73 60.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.599 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 15.21 7.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.2 -97.68 0.39 Allowed Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.25 10.9 38.25 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.71 22.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p -63.4 -29.08 70.44 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.821 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -86.21 153.16 56.52 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.38 166.06 14.18 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.902 2.401 . . . . 0.0 112.576 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.6 146.48 92.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.931 2.42 . . . . 0.0 113.204 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.47 149.4 18.92 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.744 2.296 . . . . 0.0 112.509 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.934 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.732 0.301 . . . . 0.0 111.284 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.19 -64.81 0.98 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.59 -50.74 62.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.94 73.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.197 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 22.6 tp60 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -61.34 -48.98 78.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.393 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.32 -36.76 85.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.647 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.46 60.34 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 15.67 8.82 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -96.8 0.34 Allowed Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.435 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -97.38 11.65 35.91 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -32.36 21.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.21 -30.57 71.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.593 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 20.3 ptt-85 -86.22 153.73 56.85 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.725 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.5 Cg_endo -83.07 166.53 14.55 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.917 2.411 . . . . 0.0 112.747 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.7 Cg_endo -62.72 145.87 95.07 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.168 2.579 . . . . 0.0 113.345 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.4 Cg_endo -80.81 148.05 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.853 2.369 . . . . 0.0 112.567 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.115 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.785 0.326 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.07 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.34 -54.33 13.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.67 84.07 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.55 -39.09 88.38 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.223 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -59.5 -49.1 79.08 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.201 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.29 -36.7 84.95 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.706 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.36 59.81 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.685 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 15.18 9.7 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.505 0.193 . . . . 0.0 111.484 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.12 -96.56 0.33 Allowed Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.401 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.3 8.46 44.52 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.38 -31.85 26.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.767 0.318 . . . . 0.0 110.189 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.06 -29.27 70.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.703 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -86.01 153.32 57.2 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.688 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.73 166.51 13.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.991 2.461 . . . . 0.0 112.49 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.12 144.71 92.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.991 2.46 . . . . 0.0 113.32 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -81.25 152.72 18.36 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.989 2.459 . . . . 0.0 112.576 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.007 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.535 0.207 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.1 -65.81 1.12 Allowed 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.1 -49.79 63.75 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.506 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.33 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.95 -38.14 76.06 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.21 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.88 -36.13 82.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.695 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 -17.43 59.55 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.637 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.96 15.54 8.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.461 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.42 -97.5 0.4 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.446 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -97.0 8.55 44.25 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.6 -32.2 25.88 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -61.85 -30.98 71.21 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.443 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.0 ptt-85 -86.19 153.48 56.78 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.4 Cg_endo -83.08 166.73 14.47 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.937 2.424 . . . . 0.0 112.786 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -63.45 147.0 93.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.051 2.501 . . . . 0.0 113.345 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.97 151.77 18.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.096 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.595 0.236 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.77 78.33 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.313 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.02 -46.55 88.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.657 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.0 76.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.439 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -69.64 -37.67 76.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -61.25 -48.98 78.96 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.23 -36.35 83.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.91 -17.21 59.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 15.35 9.69 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.38 -97.49 0.39 Allowed Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.414 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -97.52 11.42 36.91 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.77 -31.96 20.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 110.226 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.35 -30.33 71.1 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 -85.99 153.29 57.23 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.683 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.92 166.41 14.89 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.907 2.404 . . . . 0.0 112.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.47 147.61 94.6 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -81.3 129.82 6.88 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.855 2.37 . . . . 0.0 112.592 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.001 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.6 -62.49 1.25 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -66.64 -50.53 62.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.538 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.03 74.9 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -69.68 -38.87 77.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.11 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.14 -48.95 79.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.686 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.7 -18.45 59.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.47 15.2 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.4 -97.12 0.37 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.7 m95 -97.52 11.96 35.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.03 -32.14 20.17 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.47 -29.91 70.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.0 ptt85 -85.22 153.39 59.43 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.8 Cg_endo -83.67 165.9 13.72 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.906 2.404 . . . . 0.0 112.641 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -62.25 144.96 96.15 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.988 2.458 . . . . 0.0 113.251 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 37.2 Cg_endo -80.84 151.59 18.94 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.841 2.361 . . . . 0.0 112.504 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.2 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.555 0.217 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.94 -67.79 0.93 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -68.56 -51.26 44.75 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.47 76.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.254 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.28 -38.71 78.48 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.112 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.04 -48.9 79.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.465 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.63 -35.9 82.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.749 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -20.23 59.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.65 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.17 15.76 5.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.46 -96.71 0.36 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.8 m95 -97.8 13.64 29.77 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.51 18.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.344 . . . . 0.0 110.082 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.609 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.3 ptt85 -85.75 153.64 58.11 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.2 Cg_endo -83.82 165.08 13.71 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.975 2.45 . . . . 0.0 112.639 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 16.6 Cg_endo -62.1 144.46 95.98 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 0.0 113.361 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.43 18.64 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.893 2.396 . . . . 0.0 112.537 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.049 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.877 0.37 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.81 -67.93 0.09 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -67.39 -50.63 58.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.656 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.42 75.81 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -69.58 -37.63 77.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.66 -48.96 78.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.319 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.72 -36.15 82.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.617 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.81 -18.37 60.47 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.622 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.84 16.79 6.34 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.64 -97.52 0.41 Allowed Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.462 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.9 m95 -97.46 11.43 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.74 -31.19 21.09 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.83 -28.52 69.91 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.66 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -85.96 153.23 57.26 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.67 165.65 13.82 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.922 2.415 . . . . 0.0 112.645 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.9 Cg_endo -63.36 146.66 93.64 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.052 2.502 . . . . 0.0 113.319 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 34.0 Cg_endo -80.73 145.12 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.856 2.371 . . . . 0.0 112.641 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.66 0.267 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.57 -40.73 66.4 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -61.99 -46.56 88.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.3 -33.74 75.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.477 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -69.65 -38.99 77.35 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.111 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -59.97 -49.13 78.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.434 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.69 -36.44 84.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.752 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.99 -18.31 60.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.14 16.01 7.89 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.77 0.35 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.446 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 53.7 m95 -97.29 11.76 35.39 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.89 -31.48 20.71 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.63 -28.89 70.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.679 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -85.97 153.66 57.5 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.72 165.62 13.73 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.92 2.413 . . . . 0.0 112.558 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -62.28 146.35 95.86 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.05 2.5 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -81.75 152.02 17.02 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.815 2.343 . . . . 0.0 112.611 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.016 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.772 0.32 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.13 -5.72 27.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.119 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -66.56 -50.25 63.74 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.355 0.121 . . . . 0.0 111.053 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.59 81.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.428 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.32 -38.54 81.66 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.253 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.94 -48.55 81.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.193 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.92 -36.28 83.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.61 59.72 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.625 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.09 15.42 8.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 -96.52 0.34 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.427 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 58.1 m95 -97.17 11.5 36.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.39 21.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 p -62.23 -30.01 70.8 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.58 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -86.35 153.89 56.6 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.87 166.08 15.14 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.872 2.381 . . . . 0.0 112.695 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.92 146.21 94.79 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.993 2.462 . . . . 0.0 113.261 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.97 151.85 18.66 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.845 2.363 . . . . 0.0 112.521 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.096 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.597 0.236 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.68 -66.44 0.16 Allowed 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.61 -50.37 58.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.523 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.77 76.62 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.154 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.84 -48.72 80.54 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.314 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.35 -36.24 83.48 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.789 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.91 60.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.646 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.7 16.47 5.65 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.5 -96.69 0.36 Allowed Glycine 0 C--N 1.336 0.58 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.426 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.4 m95 -97.03 9.05 43.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.96 -31.2 25.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 110.031 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.58 -29.31 70.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.611 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 11.0 ptt85 -86.42 153.7 56.29 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.46 166.41 13.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.945 2.43 . . . . 0.0 112.677 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.0 Cg_endo -63.7 146.03 91.78 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.979 2.452 . . . . 0.0 113.205 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_endo -80.8 152.04 19.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.837 2.358 . . . . 0.0 112.537 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.072 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.22 -68.8 0.65 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -68.47 -51.31 44.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.67 76.58 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 14.5 tp60 -68.82 -38.65 80.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.179 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.78 -48.63 80.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.325 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.3 -36.29 83.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.757 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.77 -16.99 59.31 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.67 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.35 15.65 8.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.517 0.199 . . . . 0.0 111.406 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.12 -97.32 0.36 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.436 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -97.33 10.5 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.4 -32.26 22.46 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.03 -30.55 71.04 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.49 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.3 ptt-85 -86.39 153.86 56.46 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.795 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.3 Cg_endo -82.99 166.27 14.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.92 2.413 . . . . 0.0 112.671 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.9 Cg_endo -62.89 146.02 94.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.032 2.488 . . . . 0.0 113.282 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 35.3 Cg_endo -80.53 150.45 19.29 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.841 2.36 . . . . 0.0 112.62 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.587 0.232 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.73 -40.47 5.28 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.334 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.41 -46.06 91.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.774 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.497 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -70.11 -37.5 75.38 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.189 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -61.67 -49.0 78.28 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 mt -64.56 -36.99 86.0 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.767 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.692 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.23 16.51 8.46 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -97.16 0.38 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.545 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.2 m95 -96.78 11.02 37.13 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -31.91 21.29 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.86 -30.09 71.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -85.78 153.84 58.15 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.711 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.36 166.16 14.19 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.963 2.442 . . . . 0.0 112.805 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.69 147.43 92.65 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.121 2.547 . . . . 0.0 113.398 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -80.6 146.75 17.16 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.88 2.387 . . . . 0.0 112.482 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 0.0 111.101 -179.91 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.66 -67.42 0.23 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.67 -51.24 52.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.641 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.86 76.99 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.242 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -69.32 -39.22 78.36 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -59.93 -48.61 80.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.392 179.128 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.46 -36.37 83.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.85 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -19.84 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 16.06 5.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.6 0.34 Allowed Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -97.26 10.04 40.59 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.09 -31.3 23.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 110.131 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.69 -28.89 70.21 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.752 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -86.29 153.73 56.66 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.73 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.86 166.47 13.2 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.636 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.6 145.83 92.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.009 2.473 . . . . 0.0 113.303 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.63 134.55 9.89 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.891 2.394 . . . . 0.0 112.49 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.139 179.995 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.571 0.225 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.03 -19.69 22.91 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.781 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.26 -47.8 80.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.843 -0.162 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.52 80.32 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.514 178.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -68.69 -37.7 79.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -60.92 -48.98 79.34 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.289 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.61 -36.74 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.705 179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -17.41 60.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.687 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 16.36 8.55 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.88 -96.96 0.4 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.527 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -96.35 8.16 44.66 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.35 -32.16 26.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.695 0.283 . . . . 0.0 110.293 178.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p -62.71 -30.01 71.1 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -85.55 153.44 58.53 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.696 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.21 166.72 14.25 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.901 2.401 . . . . 0.0 112.818 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.67 146.79 92.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.059 2.506 . . . . 0.0 113.332 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.4 151.97 17.75 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.918 2.412 . . . . 0.0 112.55 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.093 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.795 0.331 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.98 9.14 26.54 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.826 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -69.78 -53.31 18.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.355 0.122 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.22 82.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -67.35 -38.28 84.58 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 178.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.0 -48.72 80.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.58 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.09 -17.7 59.5 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.677 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.99 15.04 9.23 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.15 -96.72 0.33 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.488 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.5 m95 -97.73 10.94 38.76 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.26 21.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 0.0 110.164 178.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -64.05 -28.32 69.71 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.776 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -85.64 153.38 58.27 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.84 165.45 13.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.932 2.421 . . . . 0.0 112.573 179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.2 144.62 92.35 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 123.001 2.467 . . . . 0.0 113.29 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.87 18.81 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.848 2.366 . . . . 0.0 112.586 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.731 0.301 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.4 -19.15 13.67 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.89 -48.53 76.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.45 0.167 . . . . 0.0 111.088 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.65 78.45 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.547 178.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -69.22 -38.01 78.35 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.188 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -61.24 -48.93 79.22 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.349 179.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.4 mt -64.87 -35.99 82.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.732 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.55 59.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.662 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.11 16.3 7.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.46 -96.55 0.35 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.477 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.9 m95 -97.44 10.92 38.45 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.92 -31.84 21.93 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.282 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.3 -29.07 70.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -85.81 153.84 58.07 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.625 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.97 165.97 13.17 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.736 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.02 145.11 94.05 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.068 2.512 . . . . 0.0 113.394 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -80.96 139.16 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.888 2.392 . . . . 0.0 112.584 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.268 179.982 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 74.33 -72.76 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.289 0.368 . . . . 0.0 111.357 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.99 -52.55 27.69 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . . . -65.16 -33.0 74.97 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 178.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -69.27 -38.74 78.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.091 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -60.79 -48.78 80.27 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.97 -36.59 84.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.633 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.42 -18.67 59.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.641 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 15.11 7.49 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -97.37 0.38 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.68 11.36 37.34 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.56 -31.13 21.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.138 178.249 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.65 -28.83 70.18 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.661 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -86.16 153.42 56.82 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.63 165.94 13.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.959 2.439 . . . . 0.0 112.535 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.03 145.45 94.19 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.948 2.432 . . . . 0.0 113.2 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.68 120.71 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.827 2.351 . . . . 0.0 112.615 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.984 179.913 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.71 -32.94 5.67 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.829 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.8 -46.94 87.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.61 75.74 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.533 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -70.7 -36.87 73.47 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.26 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.84 -48.53 80.15 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.275 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.89 -37.11 86.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.755 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -17.45 60.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.728 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.9 15.62 9.59 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.05 -97.19 0.35 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.533 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 51.2 m95 -97.57 11.54 36.54 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.07 -31.32 20.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.777 0.323 . . . . 0.0 110.175 178.374 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.83 -28.8 70.1 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.704 178.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -85.01 153.19 59.89 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.5 Cg_endo -84.15 165.99 12.84 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.889 2.392 . . . . 0.0 112.585 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.88 146.32 94.9 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.948 2.432 . . . . 0.0 113.277 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.61 132.68 9.0 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.817 2.345 . . . . 0.0 112.53 179.366 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.97 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.493 0.187 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.12 -45.04 20.81 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.31 -46.86 88.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.55 75.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.527 178.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.72 -37.34 73.52 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.25 178.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.09 -48.92 79.47 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.125 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.6 -36.3 83.78 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.335 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.49 -17.22 59.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.619 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 14.65 10.11 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -96.41 0.35 Allowed Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.406 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -97.61 12.41 33.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.1 -32.58 19.84 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -30.83 71.03 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.482 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -85.98 154.02 57.71 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.15 165.9 14.67 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.976 2.451 . . . . 0.0 112.805 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.65 146.0 95.23 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.095 2.53 . . . . 0.0 113.229 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -80.9 145.87 16.01 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.804 2.336 . . . . 0.0 112.483 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.144 -179.967 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 120.808 0.337 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.91 4.63 49.53 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.011 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.63 -52.06 35.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.312 0.101 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.43 87.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.303 178.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.95 -39.06 90.12 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.289 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -60.64 -49.02 79.19 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.51 -36.19 83.38 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.736 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.29 59.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.654 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.39 15.2 8.14 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.23 -96.33 0.33 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.409 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.45 11.98 34.86 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.87 -32.06 20.43 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.38 -30.44 71.2 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.509 178.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -86.57 153.8 55.94 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.76 165.86 15.45 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.917 2.412 . . . . 0.0 112.784 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.11 145.09 93.62 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.017 2.478 . . . . 0.0 113.329 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.13 151.24 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.871 2.381 . . . . 0.0 112.534 179.213 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.106 -179.97 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.595 0.236 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.78 -75.09 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.521 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -67.77 -50.42 57.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.6 78.69 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -68.54 -39.23 81.22 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -59.59 -49.08 79.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.257 179.09 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.32 -36.14 83.15 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.703 179.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.63 59.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.48 15.45 7.9 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.694 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -97.01 0.36 Allowed Glycine 0 C--N 1.338 0.642 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -97.39 11.03 38.05 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.11 -31.86 21.65 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.312 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.01 -29.34 70.75 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.682 178.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -85.41 153.32 58.85 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.62 166.47 13.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.008 2.472 . . . . 0.0 112.581 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.81 145.58 94.79 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.992 2.461 . . . . 0.0 113.259 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.03 137.54 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.811 2.34 . . . . 0.0 112.602 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.007 -179.966 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.594 0.235 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.02 -75.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.395 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.61 -51.58 40.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.869 -0.15 . . . . 0.0 110.708 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.74 76.66 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.625 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -69.1 -38.1 78.76 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -61.24 -48.93 79.2 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.35 179.096 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.79 -36.32 83.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.707 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.83 -20.52 59.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.68 179.276 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.33 14.99 5.73 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.703 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.99 -96.64 0.32 Allowed Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.35 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -97.51 11.38 37.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.29 -31.99 21.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -61.95 -30.69 71.08 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 ptt-85 -86.83 154.18 55.45 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.2 Cg_endo -82.93 166.24 14.94 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.955 2.437 . . . . 0.0 112.649 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.6 Cg_endo -62.64 145.9 95.23 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.02 2.48 . . . . 0.0 113.217 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.73 18.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.907 2.405 . . . . 0.0 112.583 179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.0 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.462 0.175 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.93 77.23 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -68.27 -39.23 82.24 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.128 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.74 -49.2 78.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.4 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.19 -36.42 84.01 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.665 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.68 -18.55 59.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.682 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.39 -0.284 . . . . 0.0 112.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.86 13.05 31.95 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.99 19.3 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.705 178.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.7 ptt85 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.357 0.123 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.7 165.64 13.77 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.907 2.405 . . . . 0.0 112.474 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -61.7 144.34 97.2 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.027 2.485 . . . . 0.0 113.118 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -80.27 119.59 3.87 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.758 2.306 . . . . 0.0 112.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 120.301 0.096 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.23 81.73 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -66.83 -39.15 87.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.09 -48.83 80.06 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.343 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.37 -36.53 84.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.808 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.2 59.58 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.725 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -96.74 8.21 44.81 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 -31.75 25.99 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.307 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.436 178.706 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.376 0.132 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.22 166.56 14.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.928 2.418 . . . . 0.0 112.742 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.25 144.81 92.48 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.047 2.498 . . . . 0.0 113.319 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -80.53 117.88 3.46 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.852 2.368 . . . . 0.0 112.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.446 0.165 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.49 73.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.293 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.42 -38.69 74.62 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.073 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.35 -36.6 84.23 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.702 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.8 60.28 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.65 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.178 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -97.41 11.64 35.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.27 -31.77 20.08 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.721 0.296 . . . . 0.0 110.265 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.259 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 178.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 25.3 ptt85 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 110.63 -0.137 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.9 Cg_endo -83.91 165.6 13.39 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.937 2.425 . . . . 0.0 112.692 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.17 146.47 95.99 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.194 2.596 . . . . 0.0 113.276 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.68 135.34 10.22 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.816 2.344 . . . . 0.0 112.628 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.039 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.366 0.127 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.51 75.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.97 -39.18 79.61 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -60.95 -49.13 78.71 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.496 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 mt -64.4 -36.57 84.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.677 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 -18.01 60.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.649 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.373 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.7 12.2 34.53 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.08 -31.82 20.28 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 178.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.374 0.131 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.57 165.85 13.92 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.932 2.421 . . . . 0.0 112.64 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.31 144.49 95.33 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.028 2.485 . . . . 0.0 113.227 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.28 121.48 3.9 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.875 2.383 . . . . 0.0 112.6 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.077 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.506 0.193 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.22 -33.95 75.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.92 -38.1 76.12 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.142 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -60.74 -48.79 80.23 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.79 -36.54 84.64 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.719 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.65 60.57 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.648 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.413 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.7 m95 -97.36 10.57 39.27 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.48 -31.52 22.74 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.791 0.329 . . . . 0.0 110.15 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.763 178.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 110.613 -0.143 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.67 166.0 13.69 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.996 2.464 . . . . 0.0 112.726 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.6 146.49 92.64 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.073 2.516 . . . . 0.0 113.342 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.36 152.15 17.9 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.813 2.342 . . . . 0.0 112.494 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.38 0.133 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.88 81.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.07 -38.33 82.28 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.22 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.36 -48.47 81.62 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.349 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.39 -36.32 83.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.837 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 -17.53 59.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.79 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.218 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -96.98 8.79 43.7 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.1 -31.98 24.98 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.563 178.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.387 0.137 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.3 166.57 14.14 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.928 2.419 . . . . 0.0 112.715 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.32 145.49 92.89 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.927 2.418 . . . . 0.0 113.208 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -80.65 120.68 3.98 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.787 2.325 . . . . 0.0 112.489 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.107 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 110.64 -0.134 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.72 76.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.95 -38.73 79.61 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -60.49 -48.93 79.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.24 -36.56 84.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.705 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.69 -18.04 60.58 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.63 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -96.72 7.06 47.46 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.76 -32.34 31.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.826 0.346 . . . . 0.0 110.164 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 178.801 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 110.767 -0.086 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.44 167.66 13.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.85 2.366 . . . . 0.0 112.757 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.4 147.1 93.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.045 2.497 . . . . 0.0 113.361 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.55 144.84 16.1 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.875 2.383 . . . . 0.0 112.559 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.107 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.29 75.36 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -69.19 -37.93 78.37 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.074 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -61.62 -49.05 78.13 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.68 -36.44 83.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.759 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -18.73 60.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.599 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.22 0 N-CA-C 112.401 -0.28 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.25 10.9 38.25 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.71 22.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.531 0.245 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.821 178.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 . . . . . 0 CA--C 1.53 0.2 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.38 166.06 14.18 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.902 2.401 . . . . 0.0 112.576 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.6 146.48 92.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.931 2.42 . . . . 0.0 113.204 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.47 149.4 18.92 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.744 2.296 . . . . 0.0 112.509 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.934 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.464 0.271 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.94 73.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.197 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -61.34 -48.98 78.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.393 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.32 -36.76 85.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.647 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.46 60.34 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -97.38 11.65 35.91 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -32.36 21.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.227 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.593 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 20.3 ptt-85 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.387 0.137 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.5 Cg_endo -83.07 166.53 14.55 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.917 2.411 . . . . 0.0 112.747 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.7 Cg_endo -62.72 145.87 95.07 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.168 2.579 . . . . 0.0 113.345 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.4 Cg_endo -80.81 148.05 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.853 2.369 . . . . 0.0 112.567 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.115 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.287 0.089 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.67 84.07 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.55 -39.09 88.38 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.223 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -59.5 -49.1 79.08 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.201 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.29 -36.7 84.95 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.706 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.36 59.81 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.685 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.505 0.193 . . . . 0.0 111.484 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.401 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.3 8.46 44.52 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.38 -31.85 26.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.767 0.318 . . . . 0.0 110.189 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.703 178.793 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.688 -0.116 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.73 166.51 13.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.991 2.461 . . . . 0.0 112.49 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.12 144.71 92.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.991 2.46 . . . . 0.0 113.32 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -81.25 152.72 18.36 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.989 2.459 . . . . 0.0 112.576 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.007 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.33 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.95 -38.14 76.06 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.21 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.88 -36.13 82.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.695 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 -17.43 59.55 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.637 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.461 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -97.0 8.55 44.25 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.6 -32.2 25.88 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.233 0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.443 178.688 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.0 ptt-85 . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 120.388 0.137 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.4 Cg_endo -83.08 166.73 14.47 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.937 2.424 . . . . 0.0 112.786 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -63.45 147.0 93.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.051 2.501 . . . . 0.0 113.345 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.97 151.77 18.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.096 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.515 0.197 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.0 76.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.439 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -69.64 -37.67 76.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -61.25 -48.98 78.96 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.23 -36.35 83.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.91 -17.21 59.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.173 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -97.52 11.42 36.91 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.77 -31.96 20.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 110.226 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 178.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.92 166.41 14.89 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.907 2.404 . . . . 0.0 112.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.47 147.61 94.6 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -81.3 129.82 6.88 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.855 2.37 . . . . 0.0 112.592 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.001 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.463 0.205 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.03 74.9 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -69.68 -38.87 77.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.11 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.14 -48.95 79.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.686 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.7 -18.45 59.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.7 m95 -97.52 11.96 35.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.03 -32.14 20.17 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 178.811 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.0 ptt85 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.8 Cg_endo -83.67 165.9 13.72 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.906 2.404 . . . . 0.0 112.641 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -62.25 144.96 96.15 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.988 2.458 . . . . 0.0 113.251 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 37.2 Cg_endo -80.84 151.59 18.94 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.841 2.361 . . . . 0.0 112.504 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.2 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.46 0.171 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.47 76.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.254 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.28 -38.71 78.48 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.112 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.04 -48.9 79.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.465 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.63 -35.9 82.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.749 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -20.23 59.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.65 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.193 0 N-CA-C 112.371 -0.292 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.8 m95 -97.8 13.64 29.77 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.51 18.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.344 . . . . 0.0 110.082 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.532 0.25 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.609 178.77 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.3 ptt85 . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 110.625 -0.139 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.2 Cg_endo -83.82 165.08 13.71 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.975 2.45 . . . . 0.0 112.639 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 16.6 Cg_endo -62.1 144.46 95.98 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 0.0 113.361 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.43 18.64 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.893 2.396 . . . . 0.0 112.537 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.049 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.398 0.142 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.42 75.81 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -69.58 -37.63 77.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.66 -48.96 78.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.319 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.72 -36.15 82.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.617 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.81 -18.37 60.47 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.622 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.183 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.9 m95 -97.46 11.43 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.74 -31.19 21.09 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.66 178.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.386 0.136 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.67 165.65 13.82 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.922 2.415 . . . . 0.0 112.645 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.9 Cg_endo -63.36 146.66 93.64 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.052 2.502 . . . . 0.0 113.319 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 34.0 Cg_endo -80.73 145.12 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.856 2.371 . . . . 0.0 112.641 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.521 0.201 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.3 -33.74 75.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.477 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -69.65 -38.99 77.35 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.111 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -59.97 -49.13 78.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.434 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.69 -36.44 84.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.752 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.99 -18.31 60.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.222 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 53.7 m95 -97.29 11.76 35.39 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.89 -31.48 20.71 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.679 178.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.325 0.107 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.72 165.62 13.73 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.92 2.413 . . . . 0.0 112.558 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -62.28 146.35 95.86 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.05 2.5 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -81.75 152.02 17.02 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.815 2.343 . . . . 0.0 112.611 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.016 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.355 0.121 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.59 81.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.428 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.32 -38.54 81.66 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.253 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.94 -48.55 81.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.193 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.92 -36.28 83.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.61 59.72 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.625 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.402 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 58.1 m95 -97.17 11.5 36.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.39 21.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.58 178.758 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.418 0.151 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.87 166.08 15.14 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.872 2.381 . . . . 0.0 112.695 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.92 146.21 94.79 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.993 2.462 . . . . 0.0 113.261 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.97 151.85 18.66 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.845 2.363 . . . . 0.0 112.521 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.096 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 N--CA 1.463 0.203 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.77 76.62 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.154 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.84 -48.72 80.54 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.314 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.35 -36.24 83.48 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.789 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.91 60.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.646 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.169 0 N-CA-C 112.426 -0.27 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.4 m95 -97.03 9.05 43.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.96 -31.2 25.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 110.031 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.611 178.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 11.0 ptt85 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.371 0.129 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.46 166.41 13.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.945 2.43 . . . . 0.0 112.677 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.0 Cg_endo -63.7 146.03 91.78 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.979 2.452 . . . . 0.0 113.205 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_endo -80.8 152.04 19.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.837 2.358 . . . . 0.0 112.537 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.072 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 N--CA 1.464 0.237 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.67 76.58 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -68.82 -38.65 80.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.179 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.78 -48.63 80.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.325 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.3 -36.29 83.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.757 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.77 -16.99 59.31 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.67 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.517 0.199 . . . . 0.0 111.406 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -97.33 10.5 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.4 -32.26 22.46 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.49 178.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.3 ptt-85 . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 120.363 0.125 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.3 Cg_endo -82.99 166.27 14.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.92 2.413 . . . . 0.0 112.671 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.9 Cg_endo -62.89 146.02 94.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.032 2.488 . . . . 0.0 113.282 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 35.3 Cg_endo -80.53 150.45 19.29 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.841 2.36 . . . . 0.0 112.62 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.536 0.208 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.497 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -70.11 -37.5 75.38 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.189 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -61.67 -49.0 78.28 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 mt -64.56 -36.99 86.0 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.767 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.692 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.2 m95 -96.78 11.02 37.13 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -31.91 21.29 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.53 0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 178.762 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.356 0.122 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.36 166.16 14.19 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.963 2.442 . . . . 0.0 112.805 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.69 147.43 92.65 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.121 2.547 . . . . 0.0 113.398 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -80.6 146.75 17.16 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.88 2.387 . . . . 0.0 112.482 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 0.0 111.101 -179.91 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.487 0.184 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.86 76.99 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.242 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -69.32 -39.22 78.36 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -59.93 -48.61 80.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.392 179.128 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.46 -36.37 83.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.85 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -19.84 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -97.26 10.04 40.59 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.09 -31.3 23.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 110.131 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.752 178.851 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.334 0.111 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.86 166.47 13.2 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.636 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.6 145.83 92.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.009 2.473 . . . . 0.0 113.303 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.63 134.55 9.89 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.891 2.394 . . . . 0.0 112.49 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.139 179.995 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.427 0.156 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.52 80.32 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.514 178.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -68.69 -37.7 79.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -60.92 -48.98 79.34 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.289 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.61 -36.74 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.705 179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -17.41 60.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.687 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -96.35 8.16 44.66 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.35 -32.16 26.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.695 0.283 . . . . 0.0 110.293 178.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.531 0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 178.758 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.397 0.142 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.21 166.72 14.25 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.901 2.401 . . . . 0.0 112.818 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.67 146.79 92.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.059 2.506 . . . . 0.0 113.332 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.4 151.97 17.75 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.918 2.412 . . . . 0.0 112.55 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.093 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.355 0.122 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.22 82.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -67.35 -38.28 84.58 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 178.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.0 -48.72 80.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.58 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.09 -17.7 59.5 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.677 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.5 m95 -97.73 10.94 38.76 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.26 21.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 0.0 110.164 178.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.271 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.776 178.926 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.35 0.119 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.84 165.45 13.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.932 2.421 . . . . 0.0 112.573 179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.2 144.62 92.35 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 123.001 2.467 . . . . 0.0 113.29 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.87 18.81 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.848 2.366 . . . . 0.0 112.586 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.45 0.167 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.65 78.45 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.547 178.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -69.22 -38.01 78.35 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.188 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -61.24 -48.93 79.22 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.349 179.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.4 mt -64.87 -35.99 82.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.732 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.55 59.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.662 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.217 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.9 m95 -97.44 10.92 38.45 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.92 -31.84 21.93 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 178.923 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.399 0.143 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.97 165.97 13.17 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.736 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.02 145.11 94.05 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.068 2.512 . . . . 0.0 113.394 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -80.96 139.16 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.888 2.392 . . . . 0.0 112.584 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.268 179.982 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.337 0.113 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.16 -33.0 74.97 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 178.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -69.27 -38.74 78.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.091 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -60.79 -48.78 80.27 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.97 -36.59 84.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.633 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.42 -18.67 59.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.641 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.212 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.68 11.36 37.34 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.56 -31.13 21.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.138 178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.661 178.819 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.345 0.117 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.63 165.94 13.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.959 2.439 . . . . 0.0 112.535 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.03 145.45 94.19 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.948 2.432 . . . . 0.0 113.2 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.68 120.71 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.827 2.351 . . . . 0.0 112.615 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.984 179.913 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.466 0.342 0 CA-C-O 120.524 0.202 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.61 75.74 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.533 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -70.7 -36.87 73.47 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.26 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.84 -48.53 80.15 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.275 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.89 -37.11 86.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.755 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -17.45 60.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.728 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.206 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 51.2 m95 -97.57 11.54 36.54 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.07 -31.32 20.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.777 0.323 . . . . 0.0 110.175 178.374 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.531 0.248 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.704 178.914 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.599 -0.149 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.5 Cg_endo -84.15 165.99 12.84 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.889 2.392 . . . . 0.0 112.585 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.88 146.32 94.9 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.948 2.432 . . . . 0.0 113.277 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.61 132.68 9.0 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.817 2.345 . . . . 0.0 112.53 179.366 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.97 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.514 0.197 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.55 75.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.527 178.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.72 -37.34 73.52 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.25 178.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.09 -48.92 79.47 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.6 -36.3 83.78 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.49 -17.22 59.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.619 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 179.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.406 -0.278 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -97.61 12.41 33.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.1 -32.58 19.84 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.482 178.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.346 0.117 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.15 165.9 14.67 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.976 2.451 . . . . 0.0 112.805 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.65 146.0 95.23 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.095 2.53 . . . . 0.0 113.229 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -80.9 145.87 16.01 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.804 2.336 . . . . 0.0 112.483 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.144 -179.967 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.312 0.101 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.43 87.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.303 178.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.95 -39.06 90.12 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.289 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -60.64 -49.02 79.19 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.51 -36.19 83.38 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.736 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.29 59.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.654 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.219 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.409 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.45 11.98 34.86 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.87 -32.06 20.43 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.249 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.509 178.76 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.388 0.137 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.76 165.86 15.45 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.917 2.412 . . . . 0.0 112.784 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.11 145.09 93.62 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.017 2.478 . . . . 0.0 113.329 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.13 151.24 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.871 2.381 . . . . 0.0 112.534 179.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.106 -179.97 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.396 0.141 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.6 78.69 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -68.54 -39.23 81.22 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -59.59 -49.08 79.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.257 179.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.32 -36.14 83.15 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.703 179.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.63 59.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -97.39 11.03 38.05 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.11 -31.86 21.65 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.531 0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.682 178.82 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.62 166.47 13.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.008 2.472 . . . . 0.0 112.581 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.81 145.58 94.79 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.992 2.461 . . . . 0.0 113.259 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.03 137.54 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.811 2.34 . . . . 0.0 112.602 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.007 -179.966 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.36 0.124 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.74 76.66 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -69.1 -38.1 78.76 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -61.24 -48.93 79.2 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.35 179.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.79 -36.32 83.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.707 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.83 -20.52 59.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.68 179.276 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -97.51 11.38 37.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.29 -31.99 21.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.454 178.68 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 ptt-85 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.4 0.143 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.2 Cg_endo -82.93 166.24 14.94 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.955 2.437 . . . . 0.0 112.649 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.6 Cg_endo -62.64 145.9 95.23 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.02 2.48 . . . . 0.0 113.217 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.73 18.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.907 2.405 . . . . 0.0 112.583 179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.0 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.81 -69.42 0.45 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.797 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -69.29 -51.34 38.3 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.44 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.93 77.23 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -68.27 -39.23 82.24 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.128 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -60.74 -49.2 78.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.4 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.6 mt -64.19 -36.42 84.01 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.665 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.68 -18.55 59.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.682 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.94 14.94 7.9 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.49 -96.78 0.36 Allowed Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.39 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.86 13.05 31.95 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.99 19.3 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.9 -29.35 70.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.705 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.7 ptt85 -85.99 153.46 57.32 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.705 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.7 165.64 13.77 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.907 2.405 . . . . 0.0 112.474 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -61.7 144.34 97.2 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.027 2.485 . . . . 0.0 113.118 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -80.27 119.59 3.87 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.758 2.306 . . . . 0.0 112.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.668 0.271 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.77 9.67 6.46 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.125 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -70.71 -54.17 12.82 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.301 0.096 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.23 81.73 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -66.83 -39.15 87.58 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.282 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.09 -48.83 80.06 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.343 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.37 -36.53 84.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.808 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.2 59.58 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.725 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.6 15.24 8.37 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.57 -96.89 0.37 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.433 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -96.74 8.21 44.81 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 -31.75 25.99 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.307 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.72 -29.95 71.05 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.436 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -85.92 153.6 57.62 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.778 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.22 166.56 14.29 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.928 2.418 . . . . 0.0 112.742 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.25 144.81 92.48 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.047 2.498 . . . . 0.0 113.319 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -80.53 117.88 3.46 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.852 2.368 . . . . 0.0 112.692 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.787 0.327 . . . . 0.0 111.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.63 -53.71 1.24 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -63.21 -47.32 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.59 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.5 -32.49 73.33 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.293 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -70.42 -38.69 74.62 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.073 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.05 -49.7 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.356 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.35 -36.6 84.23 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.702 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.8 60.28 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.65 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.02 15.98 5.45 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.07 -97.42 0.36 Allowed Glycine 0 C--N 1.337 0.634 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.479 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -97.41 11.64 35.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.27 -31.77 20.08 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.721 0.296 . . . . 0.0 110.265 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.72 -29.62 70.81 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 25.3 ptt85 -85.85 153.42 57.68 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.9 Cg_endo -83.91 165.6 13.39 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.937 2.425 . . . . 0.0 112.692 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.17 146.47 95.99 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.194 2.596 . . . . 0.0 113.276 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.68 135.34 10.22 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.816 2.344 . . . . 0.0 112.628 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.404 -0.808 . . . . 0.0 111.039 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 120.576 0.227 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.82 -74.58 0.08 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.54 -52.26 33.89 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.814 -0.176 . . . . 0.0 110.661 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.51 75.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.97 -39.18 79.61 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -60.95 -49.13 78.71 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.496 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 mt -64.4 -36.57 84.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.677 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.17 -18.01 60.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.649 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.17 15.94 8.05 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -96.73 0.37 Allowed Glycine 0 C--N 1.336 0.58 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.425 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.7 12.2 34.53 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.08 -31.82 20.28 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -63.3 -29.11 70.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.726 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -85.85 153.58 57.8 Favored Pre-proline 0 N--CA 1.463 0.186 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.57 165.85 13.92 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.932 2.421 . . . . 0.0 112.64 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.31 144.49 95.33 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.028 2.485 . . . . 0.0 113.227 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.28 121.48 3.9 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.875 2.383 . . . . 0.0 112.6 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.077 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 120.512 0.196 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.74 88.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.342 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.48 -45.89 92.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.78 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.22 -33.95 75.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -69.92 -38.1 76.12 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.142 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -60.74 -48.79 80.23 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.319 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.1 mt -64.79 -36.54 84.64 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.719 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.65 60.57 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.648 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.85 16.4 8.18 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -96.81 0.35 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.495 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.413 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 55.7 m95 -97.36 10.57 39.27 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.48 -31.52 22.74 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.791 0.329 . . . . 0.0 110.15 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.9 -28.78 70.07 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.763 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -86.04 153.43 57.16 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.67 166.0 13.69 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.996 2.464 . . . . 0.0 112.726 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.6 146.49 92.64 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.073 2.516 . . . . 0.0 113.342 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -81.36 152.15 17.9 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 122.813 2.342 . . . . 0.0 112.494 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.746 0.307 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.3 -0.53 13.83 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.077 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -67.48 -52.24 41.6 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.38 0.133 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.88 81.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -68.07 -38.33 82.28 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.22 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.36 -48.47 81.62 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.349 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.39 -36.32 83.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.837 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 -17.53 59.58 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.79 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.95 15.48 9.89 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.02 -96.54 0.32 Allowed Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.528 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -96.98 8.79 43.7 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.1 -31.98 24.98 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p -62.88 -29.54 70.83 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.563 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -85.92 153.58 57.6 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.697 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.3 166.57 14.14 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.928 2.419 . . . . 0.0 112.715 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -63.32 145.49 92.89 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.927 2.418 . . . . 0.0 113.208 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -80.65 120.68 3.98 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.787 2.325 . . . . 0.0 112.489 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.107 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 1.5 m-20 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 73.93 -69.87 0.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.299 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -66.83 -49.55 65.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.72 76.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.95 -38.73 79.61 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -60.49 -48.93 79.6 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.24 -36.56 84.48 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.705 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.69 -18.04 60.58 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.63 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.42 16.34 7.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.9 0.35 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.5 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -96.72 7.06 47.46 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.76 -32.34 31.52 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.826 0.346 . . . . 0.0 110.164 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.52 -29.86 70.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -86.19 153.46 56.76 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.767 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.44 167.66 13.4 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.85 2.366 . . . . 0.0 112.757 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -63.4 147.1 93.68 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.045 2.497 . . . . 0.0 113.361 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.55 144.84 16.1 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.875 2.383 . . . . 0.0 112.559 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.107 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 120.783 0.325 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.93 -64.89 0.42 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.34 -50.43 59.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.555 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.53 -33.29 75.36 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -69.19 -37.93 78.37 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.074 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -61.62 -49.05 78.13 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.68 -36.44 83.85 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.759 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.97 -18.73 60.34 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.599 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 15.21 7.36 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.2 -97.68 0.39 Allowed Glycine 0 C--N 1.336 0.57 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.401 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.3 m95 -97.25 10.9 38.25 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.71 22.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 p -63.4 -29.08 70.44 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.821 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -86.21 153.16 56.52 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.38 166.06 14.18 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.902 2.401 . . . . 0.0 112.576 179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.6 146.48 92.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.931 2.42 . . . . 0.0 113.204 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.47 149.4 18.92 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.744 2.296 . . . . 0.0 112.509 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.934 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.732 0.301 . . . . 0.0 111.284 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.19 -64.81 0.98 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -66.59 -50.74 62.08 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.494 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.94 73.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.197 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 22.6 tp60 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.105 178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -61.34 -48.98 78.82 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.393 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.32 -36.76 85.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.647 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.22 -17.46 60.34 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 15.67 8.82 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -96.8 0.34 Allowed Glycine 0 C--N 1.337 0.603 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.435 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -97.38 11.65 35.91 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -32.36 21.05 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.21 -30.57 71.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.593 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 20.3 ptt-85 -86.22 153.73 56.85 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.725 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.5 Cg_endo -83.07 166.53 14.55 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.917 2.411 . . . . 0.0 112.747 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.7 Cg_endo -62.72 145.87 95.07 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.168 2.579 . . . . 0.0 113.345 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.4 Cg_endo -80.81 148.05 17.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.853 2.369 . . . . 0.0 112.567 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.425 -0.798 . . . . 0.0 111.115 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.785 0.326 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.02 31.07 5.92 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.543 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -70.34 -54.33 13.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.67 84.07 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -66.55 -39.09 88.38 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.223 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -59.5 -49.1 79.08 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.201 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.29 -36.7 84.95 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.706 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.9 -17.36 59.81 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.685 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.46 15.18 9.7 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.505 0.193 . . . . 0.0 111.484 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.12 -96.56 0.33 Allowed Glycine 0 C--N 1.337 0.62 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.443 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.401 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.4 m95 -97.3 8.46 44.52 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.38 -31.85 26.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.767 0.318 . . . . 0.0 110.189 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.06 -29.27 70.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.703 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -86.01 153.32 57.2 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.688 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.73 166.51 13.42 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.991 2.461 . . . . 0.0 112.49 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.12 144.71 92.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.991 2.46 . . . . 0.0 113.32 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -81.25 152.72 18.36 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.989 2.459 . . . . 0.0 112.576 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.007 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.535 0.207 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.1 -65.81 1.12 Allowed 'General case' 0 C--O 1.23 0.079 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.1 -49.79 63.75 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.506 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.33 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.95 -38.14 76.06 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.21 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.88 -36.13 82.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.695 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 -17.43 59.55 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.637 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.96 15.54 8.39 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.75 -0.205 . . . . 0.0 111.461 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.42 -97.5 0.4 Allowed Glycine 0 C--N 1.337 0.621 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.446 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -97.0 8.55 44.25 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.6 -32.2 25.88 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -61.85 -30.98 71.21 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.443 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.0 ptt-85 -86.19 153.48 56.78 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.4 Cg_endo -83.08 166.73 14.47 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.937 2.424 . . . . 0.0 112.786 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.4 Cg_endo -63.45 147.0 93.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.051 2.501 . . . . 0.0 113.345 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.97 151.77 18.63 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.096 -179.91 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.595 0.236 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.77 78.33 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.313 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -62.02 -46.55 88.69 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.657 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.47 -34.0 76.28 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.439 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -69.64 -37.67 76.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.28 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -61.25 -48.98 78.96 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.19 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.23 -36.35 83.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.91 -17.21 59.86 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.723 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.64 15.35 9.69 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.38 -97.49 0.39 Allowed Glycine 0 C--N 1.337 0.588 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.414 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -97.52 11.42 36.91 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.77 -31.96 20.63 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.724 0.297 . . . . 0.0 110.226 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.35 -30.33 71.1 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 ptt-85 -85.99 153.29 57.23 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.683 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -82.92 166.41 14.89 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.907 2.404 . . . . 0.0 112.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.47 147.61 94.6 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.115 2.544 . . . . 0.0 113.187 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -81.3 129.82 6.88 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.855 2.37 . . . . 0.0 112.592 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.09 -0.957 . . . . 0.0 111.001 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.705 0.288 . . . . 0.0 111.475 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.6 -62.49 1.25 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -66.64 -50.53 62.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.538 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.03 74.9 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -69.68 -38.87 77.2 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.11 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -60.14 -48.95 79.57 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.308 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.26 -36.44 84.08 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.686 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.7 -18.45 59.6 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.697 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.47 15.2 8.24 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.4 -97.12 0.37 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.7 m95 -97.52 11.96 35.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.03 -32.14 20.17 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.47 -29.91 70.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.667 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.0 ptt85 -85.22 153.39 59.43 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.8 Cg_endo -83.67 165.9 13.72 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.906 2.404 . . . . 0.0 112.641 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.3 Cg_endo -62.25 144.96 96.15 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.988 2.458 . . . . 0.0 113.251 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 37.2 Cg_endo -80.84 151.59 18.94 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.841 2.361 . . . . 0.0 112.504 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.2 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.555 0.217 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.94 -67.79 0.93 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -68.56 -51.26 44.75 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.47 76.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.254 178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -69.28 -38.71 78.48 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.112 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -61.04 -48.9 79.6 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.465 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.63 -35.9 82.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.749 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -20.23 59.58 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.65 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.17 15.76 5.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.46 -96.71 0.36 Allowed Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.8 m95 -97.8 13.64 29.77 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 -31.51 18.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.344 . . . . 0.0 110.082 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -63.08 -29.63 70.96 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.609 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 18.3 ptt85 -85.75 153.64 58.11 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.2 Cg_endo -83.82 165.08 13.71 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.975 2.45 . . . . 0.0 112.639 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 16.6 Cg_endo -62.1 144.46 95.98 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 0.0 113.361 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.43 18.64 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.893 2.396 . . . . 0.0 112.537 179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.049 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.877 0.37 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.81 -67.93 0.09 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -67.39 -50.63 58.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.656 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.42 75.81 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -69.58 -37.63 77.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.66 -48.96 78.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.319 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.72 -36.15 82.93 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.617 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.81 -18.37 60.47 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.622 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.84 16.79 6.34 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.64 -97.52 0.41 Allowed Glycine 0 C--N 1.336 0.576 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.462 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 52.9 m95 -97.46 11.43 36.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.74 -31.19 21.09 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.83 -28.52 69.91 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.66 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -85.96 153.23 57.26 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.707 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.9 Cg_endo -83.67 165.65 13.82 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.922 2.415 . . . . 0.0 112.645 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.9 Cg_endo -63.36 146.66 93.64 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.052 2.502 . . . . 0.0 113.319 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 34.0 Cg_endo -80.73 145.12 15.93 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.856 2.371 . . . . 0.0 112.641 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.66 0.267 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.57 -40.73 66.4 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -61.99 -46.56 88.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.675 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.3 -33.74 75.92 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.477 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -69.65 -38.99 77.35 Favored 'General case' 0 C--N 1.339 0.129 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.111 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -59.97 -49.13 78.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.434 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.0 mt -64.69 -36.44 84.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.752 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.99 -18.31 60.39 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.14 16.01 7.89 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.77 0.35 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.446 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 53.7 m95 -97.29 11.76 35.39 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.89 -31.48 20.71 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.63 -28.89 70.23 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.679 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -85.97 153.66 57.5 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.72 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.72 165.62 13.73 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.92 2.413 . . . . 0.0 112.558 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -62.28 146.35 95.86 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.05 2.5 . . . . 0.0 113.218 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -81.75 152.02 17.02 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.815 2.343 . . . . 0.0 112.611 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.391 -0.814 . . . . 0.0 111.016 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.772 0.32 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.13 -5.72 27.38 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.119 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -66.56 -50.25 63.74 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.355 0.121 . . . . 0.0 111.053 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.94 -35.59 81.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.428 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.32 -38.54 81.66 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.253 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -59.94 -48.55 81.22 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.193 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.92 -36.28 83.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.728 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.89 -17.61 59.72 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.625 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.09 15.42 8.76 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.39 -96.52 0.34 Allowed Glycine 0 C--N 1.337 0.609 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.427 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.402 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 58.1 m95 -97.17 11.5 36.12 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.39 21.27 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 p -62.23 -30.01 70.8 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.58 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -86.35 153.89 56.6 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.87 166.08 15.14 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.872 2.381 . . . . 0.0 112.695 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.92 146.21 94.79 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.993 2.462 . . . . 0.0 113.261 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -80.97 151.85 18.66 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.845 2.363 . . . . 0.0 112.521 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.096 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.597 0.236 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.68 -66.44 0.16 Allowed 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.61 -50.37 58.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.523 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.77 76.62 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.07 -38.43 79.04 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.154 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.84 -48.72 80.54 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.314 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.9 mt -64.35 -36.24 83.48 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.789 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.18 -19.91 60.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.646 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.7 16.47 5.65 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.5 -96.69 0.36 Allowed Glycine 0 C--N 1.336 0.58 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.426 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.405 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 59.4 m95 -97.03 9.05 43.15 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.96 -31.2 25.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 110.031 178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.58 -29.31 70.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.611 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 11.0 ptt85 -86.42 153.7 56.29 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.5 Cg_endo -83.46 166.41 13.92 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.945 2.43 . . . . 0.0 112.677 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.0 Cg_endo -63.7 146.03 91.78 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.979 2.452 . . . . 0.0 113.205 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.6 Cg_endo -80.8 152.04 19.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.837 2.358 . . . . 0.0 112.537 179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.378 -0.82 . . . . 0.0 111.072 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.22 -68.8 0.65 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -68.47 -51.31 44.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.67 76.58 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 14.5 tp60 -68.82 -38.65 80.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.179 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -60.78 -48.63 80.93 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.325 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -64.3 -36.29 83.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.757 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.77 -16.99 59.31 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.67 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.35 15.65 8.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.517 0.199 . . . . 0.0 111.406 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.12 -97.32 0.36 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.436 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -97.33 10.5 39.43 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.4 -32.26 22.46 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -62.03 -30.55 71.04 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.49 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 16.3 ptt-85 -86.39 153.86 56.46 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.795 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.3 Cg_endo -82.99 166.27 14.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.92 2.413 . . . . 0.0 112.671 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 18.9 Cg_endo -62.89 146.02 94.77 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.032 2.488 . . . . 0.0 113.282 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 35.3 Cg_endo -80.53 150.45 19.29 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.841 2.36 . . . . 0.0 112.62 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.587 0.232 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.73 -40.47 5.28 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.334 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -61.41 -46.06 91.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.774 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.5 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.497 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -70.11 -37.5 75.38 Favored 'General case' 0 C--N 1.339 0.146 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.189 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -61.67 -49.0 78.28 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.404 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 mt -64.56 -36.99 86.0 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.767 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.43 -17.57 60.77 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.692 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.23 16.51 8.46 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -97.16 0.38 Allowed Glycine 0 C--N 1.337 0.624 0 C-N-CA 121.045 -0.597 . . . . 0.0 112.545 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.2 m95 -96.78 11.02 37.13 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.34 -31.91 21.29 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.86 -30.09 71.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.524 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -85.78 153.84 58.15 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.711 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.36 166.16 14.19 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.963 2.442 . . . . 0.0 112.805 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -63.69 147.43 92.65 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.121 2.547 . . . . 0.0 113.398 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -80.6 146.75 17.16 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.88 2.387 . . . . 0.0 112.482 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.5 -0.762 . . . . 0.0 111.101 -179.91 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.798 0.332 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.66 -67.42 0.23 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.67 -51.24 52.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.641 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.86 76.99 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.242 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -69.32 -39.22 78.36 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -59.93 -48.61 80.98 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.392 179.128 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -64.46 -36.37 83.96 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.85 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.42 -19.84 60.26 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.55 16.06 5.98 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.6 0.34 Allowed Glycine 0 C--N 1.337 0.617 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 56.5 m95 -97.26 10.04 40.59 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.09 -31.3 23.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.802 0.334 . . . . 0.0 110.131 178.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.69 -28.89 70.21 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.752 178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 ptt85 -86.29 153.73 56.66 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.73 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.1 Cg_endo -83.86 166.47 13.2 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.97 2.447 . . . . 0.0 112.636 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.6 145.83 92.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.009 2.473 . . . . 0.0 113.303 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.63 134.55 9.89 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.891 2.394 . . . . 0.0 112.49 179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.139 179.995 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.571 0.225 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.03 -19.69 22.91 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.781 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.26 -47.8 80.86 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.843 -0.162 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.52 80.32 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.514 178.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -68.69 -37.7 79.76 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 179.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -60.92 -48.98 79.34 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.289 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.61 -36.74 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.705 179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.31 -17.41 60.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.687 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 16.36 8.55 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 179.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.88 -96.96 0.4 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.527 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -96.35 8.16 44.66 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.35 -32.16 26.39 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.695 0.283 . . . . 0.0 110.293 178.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p -62.71 -30.01 71.1 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.557 178.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 ptt-85 -85.55 153.44 58.53 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.696 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.21 166.72 14.25 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.901 2.401 . . . . 0.0 112.818 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.67 146.79 92.68 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.059 2.506 . . . . 0.0 113.332 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.4 151.97 17.75 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.918 2.412 . . . . 0.0 112.55 179.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.093 -179.959 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 120.795 0.331 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.98 9.14 26.54 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.826 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -69.78 -53.31 18.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.355 0.122 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.22 82.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 178.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -67.35 -38.28 84.58 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.388 178.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -61.0 -48.72 80.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.58 -36.23 83.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.09 -17.7 59.5 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.677 179.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.99 15.04 9.23 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.15 -96.72 0.33 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.488 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.5 m95 -97.73 10.94 38.76 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.14 -31.26 21.93 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 0.0 110.164 178.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -64.05 -28.32 69.71 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.776 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptt85 -85.64 153.38 58.27 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.7 Cg_endo -83.84 165.45 13.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.932 2.421 . . . . 0.0 112.573 179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.2 144.62 92.35 Favored 'Trans proline' 0 C--N 1.347 0.447 0 C-N-CA 123.001 2.467 . . . . 0.0 113.29 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.92 151.87 18.81 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.848 2.366 . . . . 0.0 112.586 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.731 0.301 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.4 -19.15 13.67 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.89 -48.53 76.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.45 0.167 . . . . 0.0 111.088 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.36 -34.65 78.45 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.547 178.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -69.22 -38.01 78.35 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.188 179.044 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -61.24 -48.93 79.22 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.349 179.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.4 mt -64.87 -35.99 82.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.732 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.55 59.9 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.662 179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.11 16.3 7.4 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.46 -96.55 0.35 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.477 179.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.9 m95 -97.44 10.92 38.45 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.92 -31.84 21.93 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.282 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.3 -29.07 70.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -85.81 153.84 58.07 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.625 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.97 165.97 13.17 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 123.029 2.486 . . . . 0.0 112.736 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.02 145.11 94.05 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.068 2.512 . . . . 0.0 113.394 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -80.96 139.16 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.888 2.392 . . . . 0.0 112.584 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.268 179.982 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 74.33 -72.76 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.289 0.368 . . . . 0.0 111.357 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.99 -52.55 27.69 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.713 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . . . -65.16 -33.0 74.97 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 178.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -69.27 -38.74 78.53 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.091 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.0 t90 -60.79 -48.78 80.27 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.385 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.97 -36.59 84.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.633 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.42 -18.67 59.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.641 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 15.11 7.49 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.27 -97.37 0.38 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 54.1 m95 -97.68 11.36 37.34 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.56 -31.13 21.38 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 110.138 178.249 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.65 -28.83 70.18 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.661 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -86.16 153.42 56.82 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.0 Cg_endo -83.63 165.94 13.79 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.959 2.439 . . . . 0.0 112.535 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.03 145.45 94.19 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.948 2.432 . . . . 0.0 113.2 -179.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.68 120.71 3.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.827 2.351 . . . . 0.0 112.615 179.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.984 179.913 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.71 -32.94 5.67 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.829 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.8 -46.94 87.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.753 -0.203 . . . . 0.0 110.802 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.61 75.74 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.533 178.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -70.7 -36.87 73.47 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.26 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.84 -48.53 80.15 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.275 179.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.89 -37.11 86.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.755 179.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.24 -17.45 60.32 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.728 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.9 15.62 9.59 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.05 -97.19 0.35 Allowed Glycine 0 C--N 1.337 0.619 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.533 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.424 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 51.2 m95 -97.57 11.54 36.54 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.07 -31.32 20.56 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.777 0.323 . . . . 0.0 110.175 178.374 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 p -63.83 -28.8 70.1 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.704 178.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -85.01 153.19 59.89 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.599 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 2.5 Cg_endo -84.15 165.99 12.84 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.889 2.392 . . . . 0.0 112.585 179.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -62.88 146.32 94.9 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.948 2.432 . . . . 0.0 113.277 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.61 132.68 9.0 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.817 2.345 . . . . 0.0 112.53 179.366 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.97 179.898 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.493 0.187 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.12 -45.04 20.81 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.192 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -61.31 -46.86 88.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.82 -33.55 75.85 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.527 178.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.72 -37.34 73.52 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.25 178.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.09 -48.92 79.47 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.209 179.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.6 -36.3 83.78 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.662 179.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.49 -17.22 59.4 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.619 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 14.65 10.11 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.52 -96.41 0.35 Allowed Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.406 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -97.61 12.41 33.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.1 -32.58 19.84 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -30.83 71.03 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.482 178.688 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -85.98 154.02 57.71 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.15 165.9 14.67 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.976 2.451 . . . . 0.0 112.805 179.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.65 146.0 95.23 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.095 2.53 . . . . 0.0 113.229 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -80.9 145.87 16.01 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.804 2.336 . . . . 0.0 112.483 179.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.144 -179.967 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 120.808 0.337 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.91 4.63 49.53 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.011 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.63 -52.06 35.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.312 0.101 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.43 87.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.721 0.296 . . . . 0.0 110.303 178.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -65.95 -39.06 90.12 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.289 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -60.64 -49.02 79.19 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.496 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.51 -36.19 83.38 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.736 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -18.29 59.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.654 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.39 15.2 8.14 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.23 -96.33 0.33 Allowed Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.379 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.409 ' CH2' ' HA ' ' A' ' 17' ' ' PRO . 57.6 m95 -97.45 11.98 34.86 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.87 -32.06 20.43 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -62.38 -30.44 71.2 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.509 178.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -86.57 153.8 55.94 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 1.3 Cg_endo -82.76 165.86 15.45 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.917 2.412 . . . . 0.0 112.784 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -63.11 145.09 93.62 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.017 2.478 . . . . 0.0 113.329 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.13 151.24 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.871 2.381 . . . . 0.0 112.534 179.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.106 -179.97 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 120.595 0.236 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.78 -75.09 0.07 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.521 -179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -67.77 -50.42 57.16 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.825 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.6 78.69 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 178.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -68.54 -39.23 81.22 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 178.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -59.59 -49.08 79.16 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.257 179.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.32 -36.14 83.15 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.703 179.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.63 59.68 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.643 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.48 15.45 7.9 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 179.694 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -97.01 0.36 Allowed Glycine 0 C--N 1.338 0.642 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.458 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -97.39 11.03 38.05 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.11 -31.86 21.65 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -63.01 -29.34 70.75 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.682 178.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -85.41 153.32 58.85 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.662 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -83.62 166.47 13.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.008 2.472 . . . . 0.0 112.581 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.81 145.58 94.79 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.992 2.461 . . . . 0.0 113.259 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -80.03 137.54 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.811 2.34 . . . . 0.0 112.602 179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.007 -179.966 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.594 0.235 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.02 -75.87 0.06 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.395 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -68.61 -51.58 40.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.869 -0.15 . . . . 0.0 110.708 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.74 76.66 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 178.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -69.1 -38.1 78.76 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -61.24 -48.93 79.2 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.35 179.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.1 mt -63.79 -36.32 83.52 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.707 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.83 -20.52 59.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.68 179.276 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.33 14.99 5.73 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.703 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.99 -96.64 0.32 Allowed Glycine 0 C--N 1.337 0.625 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.35 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -97.51 11.38 37.04 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.29 -31.99 21.31 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -61.95 -30.69 71.08 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 21.5 ptt-85 -86.83 154.18 55.45 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 1.2 Cg_endo -82.93 166.24 14.94 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.955 2.437 . . . . 0.0 112.649 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.6 Cg_endo -62.64 145.9 95.23 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.02 2.48 . . . . 0.0 113.217 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' PRO . 36.8 Cg_endo -80.92 151.73 18.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.907 2.405 . . . . 0.0 112.583 179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.425 -0.797 . . . . 0.0 111.0 179.966 . . . . . . . . 0 0 . 1 stop_ save_