data_2ojn_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 2ojn _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 ' 11' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.0 t-160 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.759 0.314 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -48.76 -22.0 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.672 -1.268 . . . . 0.0 109.74 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.91 -39.63 6.43 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 106.811 -2.516 . . . . 0.0 106.811 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 16.2 mmtt -81.69 -33.23 31.33 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.5 m -47.28 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.247 -0.908 . . . . 0.0 109.248 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' HG11 ' A' ' 20' ' ' VAL . 1.2 tp -44.44 -43.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.305 -0.872 . . . . 0.0 109.152 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.1 t60 -54.5 -32.48 58.08 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.345 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.93 -18.54 63.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.012 . . . . 0.0 110.378 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -98.12 -24.28 15.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 110.661 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.1 m -74.93 -39.64 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 29.8 m -91.75 -39.17 11.95 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.154 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.545 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.467 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 2.4 t-160 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.178 0.513 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -52.16 -20.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.538 179.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -39.45 7.95 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 106.711 -2.555 . . . . 0.0 106.711 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE3' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -80.51 -33.54 36.38 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.267 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 8.1 m -54.25 -72.44 0.06 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.541 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.2 pp -47.53 -25.09 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.435 -0.791 . . . . 0.0 109.646 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.541 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.2 t60 -78.38 -36.05 46.45 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.302 -0.873 . . . . 0.0 108.836 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -65.63 -16.92 64.19 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.585 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -83.11 -59.08 2.59 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.411 -0.806 . . . . 0.0 110.203 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -43.11 -39.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 CA-C-O 121.936 0.874 . . . . 0.0 108.702 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.527 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 79.4 m -83.15 -59.14 2.57 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.156 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 19' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.9 t-160 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -49.19 -21.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.037 -1.039 . . . . 0.0 110.198 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.12 -39.72 6.92 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.9 -33.29 34.31 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.357 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.3 m -50.48 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.608 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.548 HG13 ' N ' ' A' ' 17' ' ' HIS . 8.8 pt -45.25 -29.21 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.387 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.548 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t60 -71.03 -32.53 69.31 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.432 -0.792 . . . . 0.0 109.172 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -78.27 -11.45 59.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -91.14 -29.48 17.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 17' ' ' HIS . 1.2 m -72.19 -33.13 45.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -88.52 -48.38 7.63 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.201 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.552 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.9 t-160 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.592 0.234 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -45.05 -23.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.784 -1.198 . . . . 0.0 109.838 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.53 -36.1 7.71 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 106.346 -2.702 . . . . 0.0 106.346 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.1 ttpt -81.59 -34.02 31.22 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.9 m -51.92 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.338 -0.851 . . . . 0.0 109.691 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.569 HG13 ' N ' ' A' ' 17' ' ' HIS . 9.8 pt -44.83 -27.58 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.267 -0.895 . . . . 0.0 109.328 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -72.25 -33.54 67.58 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.397 -0.815 . . . . 0.0 109.101 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.29 -17.34 64.43 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.888 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -88.91 -57.46 2.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.43 -0.794 . . . . 0.0 109.807 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.573 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.71 -42.15 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.863 0.84 . . . . 0.0 108.989 179.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.573 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 14.2 m -85.07 -54.88 4.35 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.311 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' VAL . 4.8 t60 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -46.7 -23.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 120.61 -1.306 . . . . 0.0 109.638 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.99 -38.89 6.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.09 -33.52 33.29 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.184 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.7 m -50.66 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.38 -0.825 . . . . 0.0 109.667 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.3 pt -45.22 -25.64 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.277 -0.89 . . . . 0.0 109.468 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.535 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-160 -75.49 -33.5 60.79 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.333 -0.854 . . . . 0.0 108.949 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.67 -17.04 61.19 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.821 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.38 -51.49 7.81 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.768 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -50.11 -40.65 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.5 m -78.9 -58.2 3.36 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.407 0.623 . . . . 0.0 110.387 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.517 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.1 t-160 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.833 0.349 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -48.11 -22.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 120.741 -1.224 . . . . 0.0 109.85 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.61 -38.77 5.61 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 106.809 -2.517 . . . . 0.0 106.809 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.45 -36.08 34.09 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.2 m -50.69 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.804 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.567 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.5 pt -44.21 -28.45 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.275 -0.89 . . . . 0.0 109.382 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -76.24 -34.62 59.19 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.387 -0.821 . . . . 0.0 109.055 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -70.24 -18.75 63.15 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.616 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' VAL . 8.8 mt -76.97 -59.32 2.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.75 -41.33 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.905 0.859 . . . . 0.0 108.847 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.571 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.59 -56.49 3.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.413 -179.021 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.544 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.095 0.474 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -52.26 -19.86 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.93 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.82 -40.7 9.54 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 106.831 -2.508 . . . . 0.0 106.831 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 mmtt -80.92 -31.88 34.87 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ARG . 4.4 m -52.28 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.588 HG13 ' N ' ' A' ' 17' ' ' HIS . 10.7 pt -46.05 -29.11 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.318 -0.864 . . . . 0.0 109.066 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t60 -74.86 -31.47 61.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -71.09 -18.12 62.55 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.301 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.541 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -92.96 -33.14 14.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.1 -1.0 . . . . 0.0 110.497 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.1 m -64.67 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.13 -0.981 . . . . 0.0 108.363 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.548 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 4.0 m -88.28 -48.77 7.42 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.395 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.611 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 120.546 0.213 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.518 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.7 m -43.31 -23.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.633 -1.292 . . . . 0.0 110.89 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.21 -37.92 8.33 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 106.582 -2.607 . . . . 0.0 106.582 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.33 -32.52 33.0 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.112 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -50.78 -85.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.643 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.544 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.1 pp -45.34 -25.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.853 . . . . 0.0 109.598 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.544 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -72.54 -32.15 65.85 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.277 -0.89 . . . . 0.0 109.021 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.135 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD11 ' N ' ' A' ' 19' ' ' LEU . 5.6 mp -86.23 -28.39 23.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.23 -0.919 . . . . 0.0 110.216 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 m -71.11 -34.78 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.905 . . . . 0.0 108.561 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 1.4 p -90.18 -46.9 8.14 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.501 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.157 0.503 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -51.79 -19.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.853 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.63 -41.4 6.97 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 107.039 -2.425 . . . . 0.0 107.039 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 3.9 mttp -81.2 -31.9 33.75 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.503 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.6 m -51.44 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.104 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' THR . 1.2 tp -40.83 -35.08 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.51 -0.743 . . . . 0.0 109.61 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.621 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -60.91 -40.21 92.29 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.241 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.5 -29.76 70.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.123 -0.986 . . . . 0.0 109.565 -179.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.542 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -60.45 -59.92 4.64 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.656 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -45.31 -32.74 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.524 ' N ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -85.38 -61.35 1.78 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.421 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 2.9 t-160 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -47.81 -22.72 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.628 -1.295 . . . . 0.0 109.658 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -43.99 -38.81 4.81 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 106.812 -2.515 . . . . 0.0 106.812 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -81.35 -36.56 29.52 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.071 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 m -46.81 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.266 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.16 -46.32 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.161 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.1 t60 -54.96 -34.56 63.4 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.044 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -68.86 -20.09 64.26 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.26 -0.9 . . . . 0.0 110.292 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -87.82 -52.98 4.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 109.829 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -44.62 -41.61 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.561 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.1 m -86.25 -56.67 3.34 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.224 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.155 0.502 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -50.38 -20.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.98 -1.075 . . . . 0.0 109.959 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.51 -40.9 6.55 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -81.18 -32.73 33.45 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -49.74 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.502 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.45 -32.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.534 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.0 t60 -65.64 -33.15 75.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.34 -0.85 . . . . 0.0 109.038 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.97 -20.12 56.5 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.537 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' THR . 6.7 mp -83.62 -26.49 29.91 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.486 -0.886 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 21' ' ' THR . 1.1 m -76.7 -30.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.518 ' N ' HG22 ' A' ' 20' ' ' VAL . 2.4 m -89.07 -47.07 8.36 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.429 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.568 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.652 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 11' ' ' HIS . 1.3 m -45.57 -23.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.429 -1.419 . . . . 0.0 110.475 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.25 -36.76 7.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 18' ' ' ARG . 13.2 mmtt -80.58 -34.03 35.56 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.6 m -45.54 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 109.467 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.0 pp -45.02 -37.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.425 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.551 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.8 t-160 -65.25 -32.54 74.25 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.236 -0.915 . . . . 0.0 108.881 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.86 -25.36 61.07 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.347 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -67.69 -58.93 3.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.995 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.587 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -44.42 -43.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 CA-C-O 121.654 0.74 . . . . 0.0 109.065 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.587 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 8.9 t -81.31 -45.72 15.78 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.414 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' HG21 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.941 -1.477 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.5 t-160 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -51.45 -20.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 109.598 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.77 -40.36 6.62 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 107.006 -2.438 . . . . 0.0 107.006 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 17.8 mttp -81.11 -32.72 33.7 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -52.3 -81.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 0.0 109.42 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 17' ' ' HIS . 9.5 pt -45.83 -30.03 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.253 -0.905 . . . . 0.0 109.286 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.546 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -68.03 -33.52 74.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -14.01 61.49 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.758 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 15' ' ' THR . 4.2 mp -94.3 -28.28 15.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.893 . . . . 0.0 110.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 17' ' ' HIS . 1.2 m -73.73 -31.98 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 20' ' ' VAL . 3.3 m -90.87 -47.42 7.62 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.194 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.531 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.695 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 120.784 0.326 . . . . 0.0 110.729 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.529 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -46.9 -21.79 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.554 -1.341 . . . . 0.0 110.376 -179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.97 -39.36 6.38 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.98 -2.448 . . . . 0.0 106.98 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.59 -33.82 35.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.529 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 5.3 m -52.09 -72.47 0.05 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 0.0 109.256 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -43.97 -37.83 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.377 -0.827 . . . . 0.0 109.283 179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.9 t-160 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 108.861 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.45 -24.69 57.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.255 -0.903 . . . . 0.0 109.297 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.56 -51.85 38.31 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.65 0.738 . . . . 0.0 109.786 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -52.16 -34.6 18.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -84.89 -56.21 3.69 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.338 -179.025 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.574 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 3.7 t-160 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.935 0.398 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -48.64 -21.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.759 -1.213 . . . . 0.0 109.755 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.57 -38.8 5.56 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 106.85 -2.5 . . . . 0.0 106.85 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.3 mptp? -80.9 -35.71 32.13 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' ARG . 4.8 m -49.82 -79.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 0.0 109.634 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' HG11 ' A' ' 20' ' ' VAL . 1.1 pp -44.13 -31.72 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.26 -0.9 . . . . 0.0 109.53 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.535 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.0 t60 -70.82 -34.03 71.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 108.995 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -78.96 -24.74 43.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.532 ' N ' HD21 ' A' ' 19' ' ' LEU . 1.9 mm? -68.8 -34.94 76.36 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.395 -0.816 . . . . 0.0 109.758 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 ' N ' ' A' ' 21' ' ' THR . 1.3 m -70.48 -30.35 42.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.526 ' N ' HG21 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -87.22 -47.97 8.42 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.217 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.586 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.0 t-160 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -50.69 -21.41 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.672 -1.268 . . . . 0.0 109.333 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -38.02 7.06 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 106.644 -2.582 . . . . 0.0 106.644 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.6 mptp? -81.37 -34.03 31.98 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.3 m -50.65 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.416 -0.803 . . . . 0.0 109.507 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.564 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.2 pt -45.56 -28.27 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.218 -0.927 . . . . 0.0 109.363 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.564 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-160 -71.65 -32.9 68.42 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.363 -0.835 . . . . 0.0 109.004 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.33 -14.99 63.23 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.533 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mt -85.92 -54.24 4.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.399 -0.813 . . . . 0.0 109.936 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -47.51 -41.97 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.576 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 16.3 m -81.05 -55.31 4.86 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 119.896 -0.721 . . . . 0.0 110.369 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.2 m -47.69 -21.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 120.584 -1.323 . . . . 0.0 109.946 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.69 -39.03 5.83 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 106.93 -2.468 . . . . 0.0 106.93 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -81.33 -33.48 32.46 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.235 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' VAL . 5.2 m -52.27 -81.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.394 -0.816 . . . . 0.0 109.552 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.2 pp -45.61 -25.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.346 -0.846 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.553 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.7 t-160 -74.48 -34.14 63.03 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.376 -0.827 . . . . 0.0 108.803 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.1 tmt_? -66.92 -19.69 65.77 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.414 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.95 -57.73 3.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.451 -0.78 . . . . 0.0 110.072 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.56 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -43.55 -41.5 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.851 0.834 . . . . 0.0 108.856 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.56 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.94 -56.5 3.78 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.348 -179.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.031 -1.427 . . . . 0.0 109.572 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.037 0.446 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -52.0 -20.1 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.98 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.28 -41.02 8.15 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 106.963 -2.455 . . . . 0.0 106.963 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.86 -31.81 35.21 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 6.4 m -53.37 -81.19 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.235 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' THR . 1.2 tp -40.66 -34.75 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.536 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.621 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -63.64 -42.14 98.18 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.205 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.44 -30.21 70.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.032 -1.042 . . . . 0.0 109.529 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.544 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 11.5 mt -60.5 -61.09 2.85 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.535 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -45.3 -32.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' HG22 ' A' ' 20' ' ' VAL . 57.4 m -82.21 -63.05 1.46 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.443 0.64 . . . . 0.0 110.359 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.955 -1.47 . . . . 0.0 109.477 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 5.2 t-160 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -49.39 -21.78 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.77 -1.207 . . . . 0.0 109.835 -179.658 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.8 -39.4 8.46 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.23 -32.42 33.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.452 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -48.24 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.242 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.525 ' N ' HG21 ' A' ' 15' ' ' THR . 1.9 tp -45.33 -45.81 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.003 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.1 t60 -57.94 -30.01 65.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.324 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.47 -32.15 54.18 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.588 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.9 mm? -64.92 -35.81 82.37 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 110.15 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG22 ' N ' ' A' ' 21' ' ' THR . 1.1 m -69.66 -30.69 45.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-O 121.919 0.866 . . . . 0.0 108.707 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.533 ' N ' HG22 ' A' ' 20' ' ' VAL . 15.8 m -88.69 -46.04 9.34 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.41 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.507 ' O ' ' NH2' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.949 -1.473 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.3 t-160 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -47.13 -22.89 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.559 -1.338 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.4 -37.99 8.8 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 mttm -80.58 -32.97 36.36 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 12' ' ' VAL . 4.3 m -52.8 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.413 -0.804 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.1 pp -44.65 -25.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.325 -0.859 . . . . 0.0 109.376 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.565 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -79.38 -34.27 42.12 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.4 -0.813 . . . . 0.0 109.115 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.29 -17.15 63.71 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.202 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 16' ' ' ILE . 1.3 mp -90.85 -36.48 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.295 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.21 -34.49 69.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.208 -0.933 . . . . 0.0 108.558 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 97.6 m -88.9 -51.22 5.74 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.508 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.286 0.565 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.83 52.57 0.85 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.258 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -115.62 -11.58 11.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 0.0 110.123 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -96.5 -27.4 14.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.19 -0.944 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -75.58 -23.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 110.317 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -127.64 168.36 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.268 -0.895 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.493 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 9.9 ptt-85 -54.35 -173.67 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 49.7 Cg_endo -76.97 74.29 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 O-C-N 123.777 1.409 . . . . 0.0 110.438 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.8 pt -81.1 38.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.892 . . . . 0.0 110.739 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 11' ' ' HIS . 10.7 p -80.31 5.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.951 -1.093 . . . . 0.0 110.431 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.0 t-160 -53.89 -100.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.296 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -48.76 -22.0 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.672 -1.268 . . . . 0.0 109.74 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.91 -39.63 6.43 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 106.811 -2.516 . . . . 0.0 106.811 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 16.2 mmtt -81.69 -33.23 31.33 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.5 m -47.28 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.247 -0.908 . . . . 0.0 109.248 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' HG11 ' A' ' 20' ' ' VAL . 1.2 tp -44.44 -43.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.305 -0.872 . . . . 0.0 109.152 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.1 t60 -54.5 -32.48 58.08 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.345 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.93 -18.54 63.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.012 . . . . 0.0 110.378 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -98.12 -24.28 15.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 110.661 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.1 m -74.93 -39.64 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 29.8 m -91.75 -39.17 11.95 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.154 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.545 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.473 ' O ' HG13 ' A' ' 5' ' ' ILE . 7.8 m-85 -75.78 -7.05 53.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.4 m-70 -89.67 -18.1 27.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.031 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.03 12.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -116.61 -47.91 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.032 -1.042 . . . . 0.0 111.067 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.74 62.59 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.799 -1.188 . . . . 0.0 112.098 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.536 ' HB3' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -156.71 -76.24 0.01 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.994 -1.066 . . . . 0.0 110.759 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' CD ' ' HB3' ' A' ' 7' ' ' ARG . 46.2 Cg_endo -49.04 -21.95 4.53 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.677 1.356 . . . . 0.0 110.497 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 tt -48.48 -32.42 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.492 HG11 ' HA3' ' A' ' 13' ' ' GLY . 7.7 p -80.47 148.99 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.129 -0.982 . . . . 0.0 111.305 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.489 ' N ' HG23 ' A' ' 10' ' ' VAL . 2.4 t-160 -47.87 -68.67 0.17 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.753 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -52.16 -20.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.538 179.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.492 ' HA3' HG11 ' A' ' 10' ' ' VAL . . . -45.59 -39.45 7.95 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 106.711 -2.555 . . . . 0.0 106.711 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HE3' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -80.51 -33.54 36.38 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.267 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 8.1 m -54.25 -72.44 0.06 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.541 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.2 pp -47.53 -25.09 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.435 -0.791 . . . . 0.0 109.646 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.541 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.2 t60 -78.38 -36.05 46.45 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.302 -0.873 . . . . 0.0 108.836 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -65.63 -16.92 64.19 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.585 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -83.11 -59.08 2.59 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.411 -0.806 . . . . 0.0 110.203 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -43.11 -39.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 CA-C-O 121.936 0.874 . . . . 0.0 108.702 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.527 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 79.4 m -83.15 -59.14 2.57 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.156 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 19' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.572 ' CD1' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -80.66 12.39 3.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.247 -0.908 . . . . 0.0 110.647 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -100.62 -24.42 14.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.03 -1.044 . . . . 0.0 110.535 -179.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -92.83 -23.75 18.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 2' ' ' PHE . 1.1 pt -81.96 -25.19 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.264 -0.898 . . . . 0.0 110.589 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -153.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.0 111.119 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.614 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -50.76 -81.88 0.01 OUTLIER Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.606 -0.684 . . . . 0.0 111.118 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.614 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 46.4 Cg_endo -39.8 94.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 124.027 1.54 . . . . 0.0 110.824 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' ARG . 3.7 mt -80.41 -130.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 0.0 109.527 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.504 HG11 ' HA3' ' A' ' 13' ' ' GLY . 2.7 p -70.55 155.95 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.867 -1.146 . . . . 0.0 110.462 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' N ' HG22 ' A' ' 10' ' ' VAL . 2.9 t-160 -51.91 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.439 -0.788 . . . . 0.0 110.877 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -49.19 -21.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.037 -1.039 . . . . 0.0 110.198 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA3' HG11 ' A' ' 10' ' ' VAL . . . -45.12 -39.72 6.92 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.9 -33.29 34.31 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.357 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.3 m -50.48 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.608 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.548 HG13 ' N ' ' A' ' 17' ' ' HIS . 8.8 pt -45.25 -29.21 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.387 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.548 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t60 -71.03 -32.53 69.31 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.432 -0.792 . . . . 0.0 109.172 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -78.27 -11.45 59.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -91.14 -29.48 17.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 17' ' ' HIS . 1.2 m -72.19 -33.13 45.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -88.52 -48.38 7.63 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.201 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.552 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.202 0.525 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HA ' HD11 ' A' ' 5' ' ' ILE . 7.9 m-85 -78.71 52.55 1.22 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.2 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.586 ' O ' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -124.17 8.72 8.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -120.29 12.35 11.72 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.844 . . . . 0.0 109.701 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -121.52 -42.49 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.515 -0.74 . . . . 0.0 110.436 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.5 p90 -29.44 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.205 0.526 . . . . 0.0 112.104 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.589 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER 27.44 41.64 0.05 OUTLIER Pre-proline 0 N--CA 1.504 2.267 0 O-C-N 122.081 -0.387 . . . . 0.0 111.661 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PHE . 51.6 Cg_endo -54.71 -160.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.299 -2.039 0 O-C-N 124.099 1.578 . . . . 0.0 110.363 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' HG12 ' A' ' 9' ' ' ILE . 10.0 tt -70.05 55.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.066 -1.021 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' HA3' ' A' ' 13' ' ' GLY . 9.8 p -80.53 134.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 110.22 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.9 t-160 -65.6 -124.24 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.064 -1.023 . . . . 0.0 110.535 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -45.05 -23.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.784 -1.198 . . . . 0.0 109.838 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.533 ' HA3' ' CG2' ' A' ' 10' ' ' VAL . . . -46.53 -36.1 7.71 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 106.346 -2.702 . . . . 0.0 106.346 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' N ' HG13 ' A' ' 10' ' ' VAL . 2.1 ttpt -81.59 -34.02 31.22 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.525 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.9 m -51.92 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.338 -0.851 . . . . 0.0 109.691 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.569 HG13 ' N ' ' A' ' 17' ' ' HIS . 9.8 pt -44.83 -27.58 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.267 -0.895 . . . . 0.0 109.328 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.569 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -72.25 -33.54 67.58 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.397 -0.815 . . . . 0.0 109.101 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.29 -17.34 64.43 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.888 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -88.91 -57.46 2.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.43 -0.794 . . . . 0.0 109.807 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.573 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.71 -42.15 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.863 0.84 . . . . 0.0 108.989 179.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.573 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 14.2 m -85.07 -54.88 4.35 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.311 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.397 0.618 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.634 ' CG ' ' CD1' ' A' ' 5' ' ' ILE . 1.5 m-85 -49.07 -89.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.0 110.087 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.561 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER 70.93 -55.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -25.37 67.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.97 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.634 ' CD1' ' CG ' ' A' ' 2' ' ' PHE . 1.2 pt -106.28 -26.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 110.522 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -78.96 -148.13 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.524 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -136.37 52.96 6.87 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.047 . . . . 0.0 111.739 -178.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.561 ' HG3' ' CG ' ' A' ' 3' ' ' HIS . 50.6 Cg_endo -87.76 143.36 6.07 Favored 'Trans proline' 0 C--N 1.302 -1.871 0 O-C-N 123.559 1.294 . . . . 0.0 110.074 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG21 ' CD ' ' A' ' 14' ' ' LYS . 33.9 mt -74.36 80.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -0.913 . . . . 0.0 110.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 11' ' ' HIS . 42.4 t -43.92 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 110.378 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.468 ' N ' HG12 ' A' ' 10' ' ' VAL . 4.8 t60 -65.83 -114.37 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.317 -0.864 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -46.7 -23.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 120.61 -1.306 . . . . 0.0 109.638 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.99 -38.89 6.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CD ' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -81.09 -33.52 33.29 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.184 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' VAL . 3.7 m -50.66 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.38 -0.825 . . . . 0.0 109.667 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.3 pt -45.22 -25.64 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.277 -0.89 . . . . 0.0 109.468 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.535 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-160 -75.49 -33.5 60.79 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.333 -0.854 . . . . 0.0 108.949 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.67 -17.04 61.19 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.821 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.38 -51.49 7.81 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.768 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.574 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -50.11 -40.65 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.5 m -78.9 -58.2 3.36 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.407 0.623 . . . . 0.0 110.387 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.517 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 9.2 m-85 -80.02 54.14 1.85 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -107.05 6.1 28.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 0.0 110.197 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.03 7.64 16.84 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.233 -0.917 . . . . 0.0 109.625 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -119.96 -48.05 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.597 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -105.84 -24.74 12.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.31 -0.869 . . . . 0.0 110.33 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.61 -72.85 0.14 Allowed Pre-proline 0 C--N 1.3 -1.571 0 O-C-N 121.686 -0.634 . . . . 0.0 111.457 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 45.2 Cg_endo -41.8 154.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.819 1.431 . . . . 0.0 110.593 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 HG23 HG23 ' A' ' 12' ' ' VAL . 43.5 mm -59.4 80.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.355 -0.841 . . . . 0.0 110.376 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 20.4 m -69.61 -24.23 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.336 -0.853 . . . . 0.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.1 t-160 -58.59 -99.8 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 110.432 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -48.11 -22.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 120.741 -1.224 . . . . 0.0 109.85 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.61 -38.77 5.61 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 106.809 -2.517 . . . . 0.0 106.809 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.45 -36.08 34.09 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.242 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 18' ' ' ARG . 7.2 m -50.69 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.804 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.5 pt -44.21 -28.45 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.275 -0.89 . . . . 0.0 109.382 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -76.24 -34.62 59.19 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.387 -0.821 . . . . 0.0 109.055 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -70.24 -18.75 63.15 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.616 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' VAL . 8.8 mt -76.97 -59.32 2.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.75 -41.33 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.905 0.859 . . . . 0.0 108.847 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.571 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.59 -56.49 3.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.413 -179.021 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.544 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.288 0.566 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -78.78 -12.51 60.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.095 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.51 -4.12 49.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.208 -0.932 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -103.32 -30.9 10.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.533 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.3 pp -75.97 -25.11 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -0.868 . . . . 0.0 110.458 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -141.54 -154.04 0.5 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.931 . . . . 0.0 110.565 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.534 ' HB2' ' CD ' ' A' ' 8' ' ' PRO . 5.1 ptp85 -139.63 -178.92 0.91 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.395 -0.816 . . . . 0.0 109.678 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' CD ' ' HB2' ' A' ' 7' ' ' ARG . 48.1 Cg_endo -57.21 98.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.445 1.234 . . . . 0.0 110.076 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -79.88 46.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.83 . . . . 0.0 110.892 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.41 -15.94 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.975 . . . . 0.0 109.386 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.01 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.563 -0.711 . . . . 0.0 110.322 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -52.26 -19.86 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.93 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.82 -40.7 9.54 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 106.831 -2.508 . . . . 0.0 106.831 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 mmtt -80.92 -31.88 34.87 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 18' ' ' ARG . 4.4 m -52.28 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.588 HG13 ' N ' ' A' ' 17' ' ' HIS . 10.7 pt -46.05 -29.11 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.318 -0.864 . . . . 0.0 109.066 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.588 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t60 -74.86 -31.47 61.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -71.09 -18.12 62.55 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.301 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.541 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -92.96 -33.14 14.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.1 -1.0 . . . . 0.0 110.497 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.1 m -64.67 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.13 -0.981 . . . . 0.0 108.363 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.548 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 4.0 m -88.28 -48.77 7.42 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.395 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.611 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.221 0.534 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.67 49.96 1.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -134.22 -34.91 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 0.0 110.418 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.13 -26.95 22.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.207 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.4 pp -78.59 -25.57 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.372 -0.83 . . . . 0.0 110.34 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -143.72 -153.54 0.48 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.868 . . . . 0.0 110.487 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -143.77 -167.33 0.15 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.311 -0.868 . . . . 0.0 110.07 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 45.9 Cg_endo -112.07 -57.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 123.973 1.512 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.98 77.39 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.252 -0.905 . . . . 0.0 110.295 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 11' ' ' HIS . 2.3 p -55.41 150.97 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.957 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.62 ' CD2' HG22 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.75 -109.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 111.17 -179.308 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.7 m -43.31 -23.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.633 -1.292 . . . . 0.0 110.89 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.521 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -46.21 -37.92 8.33 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 106.582 -2.607 . . . . 0.0 106.582 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.33 -32.52 33.0 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.112 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 18' ' ' ARG . 2.9 m -50.78 -85.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.643 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.544 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.1 pp -45.34 -25.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.853 . . . . 0.0 109.598 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.544 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -72.54 -32.15 65.85 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.277 -0.89 . . . . 0.0 109.021 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.135 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD11 ' N ' ' A' ' 19' ' ' LEU . 5.6 mp -86.23 -28.39 23.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.23 -0.919 . . . . 0.0 110.216 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.2 m -71.11 -34.78 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.905 . . . . 0.0 108.561 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 1.4 p -90.18 -46.9 8.14 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.501 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.221 0.534 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -64.41 -14.16 55.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' O ' ' O ' ' A' ' 7' ' ' ARG . 4.5 m80 -79.56 -21.54 44.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -89.43 -22.12 22.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.1 pp -68.75 -23.78 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 110.206 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -117.06 -72.42 0.69 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -0.855 . . . . 0.0 110.26 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' NH1' ' HA ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -159.86 168.32 12.33 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.273 -0.892 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -105.39 122.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 124.101 1.579 . . . . 0.0 110.332 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' HA ' ' NH1' ' A' ' 7' ' ' ARG . 1.1 pt -72.1 57.86 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 110.208 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 11' ' ' HIS . 11.5 p -64.0 -40.31 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.211 -0.931 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' VAL . 4.1 t60 -43.51 -77.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -51.79 -19.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.853 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.63 -41.4 6.97 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 107.039 -2.425 . . . . 0.0 107.039 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 3.9 mttp -81.2 -31.9 33.75 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.503 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.6 m -51.44 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.104 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' THR . 1.2 tp -40.83 -35.08 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.51 -0.743 . . . . 0.0 109.61 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.621 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -60.91 -40.21 92.29 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.241 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.5 -29.76 70.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.123 -0.986 . . . . 0.0 109.565 -179.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -60.45 -59.92 4.64 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.656 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -45.31 -32.74 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.524 ' N ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -85.38 -61.35 1.78 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.421 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.317 0.58 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 3.8 t80 -58.51 -23.79 58.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.206 -0.934 . . . . 0.0 110.176 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -85.39 -6.47 59.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -92.81 -29.78 15.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -0.892 . . . . 0.0 110.386 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 9.1 pt -83.33 -43.98 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.935 . . . . 0.0 110.382 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.555 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -118.56 175.29 5.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 110.483 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.508 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -89.2 173.42 6.04 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 0.0 110.04 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 48.7 Cg_endo -75.29 119.62 5.64 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.734 1.386 . . . . 0.0 110.286 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' GLY . 1.5 mp -71.96 -58.21 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.314 -0.867 . . . . 0.0 110.549 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 11' ' ' HIS . 9.2 p -40.7 -40.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.497 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 2.9 t-160 -63.07 -103.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -47.81 -22.72 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.628 -1.295 . . . . 0.0 109.658 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . . . -43.99 -38.81 4.81 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 106.812 -2.515 . . . . 0.0 106.812 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -81.35 -36.56 29.52 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.071 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.4 m -46.81 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.266 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.16 -46.32 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.161 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.1 t60 -54.96 -34.56 63.4 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.044 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -68.86 -20.09 64.26 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.26 -0.9 . . . . 0.0 110.292 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -87.82 -52.98 4.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 109.829 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -44.62 -41.61 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.561 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.1 m -86.25 -56.67 3.34 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.224 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.227 0.537 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.473 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 9.7 m-85 -79.9 53.64 1.71 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.085 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 40.9 t60 -112.42 -5.58 14.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.42 -0.8 . . . . 0.0 110.087 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.6 6.95 40.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -114.06 -49.68 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.111 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 7' ' ' ARG . 3.6 p90 -96.33 -162.19 0.93 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.016 -1.053 . . . . 0.0 109.98 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 3.1 ttt180 56.96 -152.66 0.01 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 109.725 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 7' ' ' ARG . 44.0 Cg_endo -93.89 87.28 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 O-C-N 123.613 1.323 . . . . 0.0 110.406 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' ' 9' ' ' ILE . 6.8 tt -59.42 78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.452 -0.78 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.4 p -70.4 -5.14 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 0.0 110.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 -44.47 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -50.38 -20.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.98 -1.075 . . . . 0.0 109.959 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.51 -40.9 6.55 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -81.18 -32.73 33.45 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.1 m -49.74 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.502 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.45 -32.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.534 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.0 t60 -65.64 -33.15 75.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.34 -0.85 . . . . 0.0 109.038 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.97 -20.12 56.5 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.537 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 15' ' ' THR . 6.7 mp -83.62 -26.49 29.91 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.486 -0.886 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 21' ' ' THR . 1.1 m -76.7 -30.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.518 ' N ' HG22 ' A' ' 20' ' ' VAL . 2.4 m -89.07 -47.07 8.36 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.429 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.568 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.187 0.518 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -74.2 0.54 13.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -60.17 -13.35 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.129 -0.982 . . . . 0.0 110.065 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 -35.98 9.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.5 pp -91.47 -26.24 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 110.659 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.518 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -134.54 -150.61 0.4 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 0.0 110.234 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.551 ' HG2' ' CD ' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -86.56 -150.49 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.356 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.551 ' CD ' ' HG2' ' A' ' 7' ' ' ARG . 50.5 Cg_endo -115.22 36.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.866 1.456 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.5 mp -46.66 -26.15 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.023 -1.048 . . . . 0.0 109.816 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' A' ' 11' ' ' HIS . 6.4 m -79.98 -3.08 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.495 -0.753 . . . . 0.0 110.41 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.652 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -39.31 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 111.42 -178.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.567 HG21 ' CD2' ' A' ' 11' ' ' HIS . 1.3 m -45.57 -23.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.429 -1.419 . . . . 0.0 110.475 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.25 -36.76 7.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 18' ' ' ARG . 13.2 mmtt -80.58 -34.03 35.56 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 12' ' ' VAL . 2.6 m -45.54 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 109.467 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.0 pp -45.02 -37.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.425 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.8 t-160 -65.25 -32.54 74.25 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.236 -0.915 . . . . 0.0 108.881 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.86 -25.36 61.07 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.347 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -67.69 -58.93 3.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.995 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.587 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -44.42 -43.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 CA-C-O 121.654 0.74 . . . . 0.0 109.065 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.587 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 8.9 t -81.31 -45.72 15.78 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.414 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' HG21 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.941 -1.477 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.287 0.565 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' A' ' 2' ' ' PHE . 4.8 t80 -80.15 51.0 1.31 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.08 13.95 3.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.253 -0.904 . . . . 0.0 110.162 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -114.79 -32.9 5.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.234 -0.916 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.543 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.3 pp -85.42 -24.94 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.236 -0.915 . . . . 0.0 110.424 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.543 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -102.99 158.17 16.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.188 -0.945 . . . . 0.0 110.354 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER 39.0 -161.97 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.636 -0.665 . . . . 0.0 110.699 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 50.7 Cg_endo -118.87 -158.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.643 0 O-C-N 123.877 1.461 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -78.53 50.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.139 -0.975 . . . . 0.0 109.962 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.453 HG11 ' HD3' ' A' ' 7' ' ' ARG . 9.6 p -79.54 -2.33 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.0 110.137 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' VAL . 2.5 t-160 -40.88 -84.42 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -51.45 -20.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 109.598 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.77 -40.36 6.62 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 107.006 -2.438 . . . . 0.0 107.006 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 17.8 mttp -81.11 -32.72 33.7 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.517 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -52.3 -81.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 0.0 109.42 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 17' ' ' HIS . 9.5 pt -45.83 -30.03 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.253 -0.905 . . . . 0.0 109.286 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -68.03 -33.52 74.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -14.01 61.49 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.758 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD11 ' O ' ' A' ' 15' ' ' THR . 4.2 mp -94.3 -28.28 15.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.893 . . . . 0.0 110.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 17' ' ' HIS . 1.2 m -73.73 -31.98 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 20' ' ' VAL . 3.3 m -90.87 -47.42 7.62 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.194 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.531 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.223 0.535 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 65.5 m-85 -77.81 52.6 1.05 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 110.057 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -80.48 -0.61 38.12 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.282 -0.886 . . . . 0.0 110.444 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -102.51 -28.26 12.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.893 . . . . 0.0 110.215 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.521 ' CG1' ' HB3' ' A' ' 2' ' ' PHE . 1.1 pt -97.04 -23.42 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 110.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.5 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -118.09 -167.85 1.42 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -113.01 -169.48 0.15 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.326 -0.859 . . . . 0.0 110.176 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 47.8 Cg_endo -111.89 141.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.019 1.537 . . . . 0.0 110.295 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -78.65 65.32 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.281 -0.887 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 11' ' ' HIS . 26.2 t -80.15 -65.4 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.279 -0.888 . . . . 0.0 110.227 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.695 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -41.05 -92.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.324 -0.86 . . . . 0.0 110.729 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.529 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -46.9 -21.79 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.554 -1.341 . . . . 0.0 110.376 -179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.97 -39.36 6.38 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.98 -2.448 . . . . 0.0 106.98 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.59 -33.82 35.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.529 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 5.3 m -52.09 -72.47 0.05 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 0.0 109.256 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -43.97 -37.83 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.377 -0.827 . . . . 0.0 109.283 179.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.9 t-160 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 108.861 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.45 -24.69 57.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.255 -0.903 . . . . 0.0 109.297 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.56 -51.85 38.31 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.65 0.738 . . . . 0.0 109.786 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -52.16 -34.6 18.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -84.89 -56.21 3.69 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.338 -179.025 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.574 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.264 0.554 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.433 ' HA ' HG12 ' A' ' 5' ' ' ILE . 6.0 t80 -80.03 -14.59 58.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.59 1.91 50.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.222 -0.924 . . . . 0.0 110.219 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.54 -23.99 11.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.0 110.168 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' A' ' 2' ' ' PHE . 1.1 pt -76.69 -25.61 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.275 -0.891 . . . . 0.0 110.403 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -157.97 0.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.232 -0.917 . . . . 0.0 110.313 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.419 ' NH1' ' HB ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -91.62 153.49 43.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.131 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -109.67 -14.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 O-C-N 124.011 1.532 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.15 -20.52 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 0.0 110.206 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' HB ' ' NH1' ' A' ' 7' ' ' ARG . 10.5 p -66.31 -27.2 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.202 -0.936 . . . . 0.0 110.372 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 3.7 t-160 -53.16 -95.64 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 110.104 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -48.64 -21.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.759 -1.213 . . . . 0.0 109.755 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.57 -38.8 5.56 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 106.85 -2.5 . . . . 0.0 106.85 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.3 mptp? -80.9 -35.71 32.13 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' ARG . 4.8 m -49.82 -79.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 0.0 109.634 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' HG11 ' A' ' 20' ' ' VAL . 1.1 pp -44.13 -31.72 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.26 -0.9 . . . . 0.0 109.53 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.535 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.0 t60 -70.82 -34.03 71.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 108.995 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -78.96 -24.74 43.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.532 ' N ' HD21 ' A' ' 19' ' ' LEU . 1.9 mm? -68.8 -34.94 76.36 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.395 -0.816 . . . . 0.0 109.758 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 ' N ' ' A' ' 21' ' ' THR . 1.3 m -70.48 -30.35 42.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.526 ' N ' HG21 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -87.22 -47.97 8.42 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.217 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.586 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.229 0.538 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' HA ' HG12 ' A' ' 5' ' ' ILE . 9.8 m-85 -78.74 4.33 14.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -92.7 -23.88 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.197 -0.94 . . . . 0.0 110.212 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.32 -24.35 19.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.214 -0.928 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 6' ' ' PHE . 2.6 pp -66.52 -32.96 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.552 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -116.82 -149.53 0.44 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 110.202 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 2.4 ppt_? -165.71 50.82 0.23 Allowed Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.923 -1.111 . . . . 0.0 111.564 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 6' ' ' PHE . 46.3 Cg_endo -79.07 156.83 26.59 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.465 1.245 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' HIS . 8.6 tp -80.57 9.28 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 110.215 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 11' ' ' HIS . 9.9 p -40.52 -27.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.321 -0.862 . . . . 0.0 110.664 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 10' ' ' VAL . 3.0 t-160 -51.25 -100.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.923 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -50.69 -21.41 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.672 -1.268 . . . . 0.0 109.333 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -38.02 7.06 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 106.644 -2.582 . . . . 0.0 106.644 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.6 mptp? -81.37 -34.03 31.98 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.3 m -50.65 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.416 -0.803 . . . . 0.0 109.507 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.564 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.2 pt -45.56 -28.27 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.218 -0.927 . . . . 0.0 109.363 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.564 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-160 -71.65 -32.9 68.42 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.363 -0.835 . . . . 0.0 109.004 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.33 -14.99 63.23 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.533 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 mt -85.92 -54.24 4.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.399 -0.813 . . . . 0.0 109.936 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -47.51 -41.97 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.576 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 16.3 m -81.05 -55.31 4.86 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 119.896 -0.721 . . . . 0.0 110.369 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.332 0.587 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 3.06 13.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -99.71 -12.18 20.22 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.929 . . . . 0.0 110.319 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -35.98 17.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.282 -0.886 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 6' ' ' PHE . 2.6 pp -63.8 -35.3 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 110.088 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.517 ' HB2' ' CD1' ' A' ' 5' ' ' ILE . 0.1 OUTLIER -113.42 -158.23 0.65 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 110.05 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -141.67 68.75 25.01 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.035 -1.041 . . . . 0.0 111.327 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 43.8 Cg_endo -114.79 77.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 O-C-N 123.673 1.354 . . . . 0.0 110.322 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 3.2 mp -66.21 64.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.176 -0.953 . . . . 0.0 110.092 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' PRO . 11.2 p -80.07 -39.14 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.872 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -49.53 -99.66 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 110.258 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.2 m -47.69 -21.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 120.584 -1.323 . . . . 0.0 109.946 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.69 -39.03 5.83 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 106.93 -2.468 . . . . 0.0 106.93 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -81.33 -33.48 32.46 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.235 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' VAL . 5.2 m -52.27 -81.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.394 -0.816 . . . . 0.0 109.552 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.2 pp -45.61 -25.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.346 -0.846 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.553 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.7 t-160 -74.48 -34.14 63.03 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.376 -0.827 . . . . 0.0 108.803 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.1 tmt_? -66.92 -19.69 65.77 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.414 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.95 -57.73 3.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.451 -0.78 . . . . 0.0 110.072 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.56 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -43.55 -41.5 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.851 0.834 . . . . 0.0 108.856 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.56 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.94 -56.5 3.78 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.348 -179.135 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.031 -1.427 . . . . 0.0 109.572 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.254 0.549 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.03 5.6 13.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -96.22 -13.85 23.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -90.23 -38.36 13.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 110.266 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 6' ' ' PHE . 2.7 pp -67.82 -35.4 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.861 . . . . 0.0 110.332 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' CD1' ' HD3' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -100.28 -147.15 0.35 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -0.911 . . . . 0.0 110.025 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -159.92 62.85 1.97 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.931 -1.106 . . . . 0.0 110.88 -179.503 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 39.6 Cg_endo -92.52 -56.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.871 0 O-C-N 124.066 1.561 . . . . 0.0 110.341 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.75 47.68 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 110.031 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.57 -17.27 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 -51.68 -85.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.172 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -52.0 -20.1 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.98 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.28 -41.02 8.15 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 106.963 -2.455 . . . . 0.0 106.963 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.86 -31.81 35.21 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 6.4 m -53.37 -81.19 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.235 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' THR . 1.2 tp -40.66 -34.75 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.536 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.621 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -63.64 -42.14 98.18 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.205 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.44 -30.21 70.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.032 -1.042 . . . . 0.0 109.529 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.544 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 11.5 mt -60.5 -61.09 2.85 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.535 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -45.3 -32.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' HG22 ' A' ' 20' ' ' VAL . 57.4 m -82.21 -63.05 1.46 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.443 0.64 . . . . 0.0 110.359 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.955 -1.47 . . . . 0.0 109.477 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.224 0.535 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 42.4 m-85 -68.4 -31.31 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.0 110.148 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -44.42 -24.42 0.18 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.007 -1.058 . . . . 0.0 110.463 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 2' ' ' PHE . 1.5 m-70 -90.61 -11.44 39.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 0.0 110.871 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.549 ' CG1' ' O ' ' A' ' 2' ' ' PHE . 1.1 pp -79.36 -24.46 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 110.27 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -99.49 177.03 5.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.34 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 171.75 2.03 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' HB2' ' CB ' ' A' ' 11' ' ' HIS . 46.4 Cg_endo -113.26 84.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.932 1.491 . . . . 0.0 110.662 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 tp -69.97 -25.34 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 109.935 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 11' ' ' HIS . 2.0 t -80.03 -38.35 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.32 -0.862 . . . . 0.0 109.889 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 5.2 t-160 -49.27 -100.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.347 -0.845 . . . . 0.0 110.526 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -49.39 -21.78 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.77 -1.207 . . . . 0.0 109.835 -179.658 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.8 -39.4 8.46 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.23 -32.42 33.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.452 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -48.24 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.242 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.525 ' N ' HG21 ' A' ' 15' ' ' THR . 1.9 tp -45.33 -45.81 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.003 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.1 t60 -57.94 -30.01 65.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.324 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.47 -32.15 54.18 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.588 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.9 mm? -64.92 -35.81 82.37 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 110.15 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG22 ' N ' ' A' ' 21' ' ' THR . 1.1 m -69.66 -30.69 45.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-O 121.919 0.866 . . . . 0.0 108.707 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.533 ' N ' HG22 ' A' ' 20' ' ' VAL . 15.8 m -88.69 -46.04 9.34 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.41 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' O ' ' NH2' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.949 -1.473 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.245 0.545 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 4.3 m-85 -79.9 52.17 1.45 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.96 -41.02 6.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' ILE . 3.5 m-70 -52.14 -84.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.854 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -40.46 -34.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.461 -0.774 . . . . 0.0 110.752 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.556 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -71.68 -166.86 0.23 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.321 -0.862 . . . . 0.0 110.902 -179.33 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -170.24 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 0.0 110.25 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -117.91 160.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.587 0 O-C-N 123.899 1.473 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.41 58.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.899 . . . . 0.0 110.16 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' CG1' ' HA3' ' A' ' 13' ' ' GLY . 14.9 p -72.64 145.56 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.273 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.3 t-160 -66.3 -112.5 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.367 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -47.13 -22.89 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.559 -1.338 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.537 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -46.4 -37.99 8.8 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 mttm -80.58 -32.97 36.36 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 12' ' ' VAL . 4.3 m -52.8 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.413 -0.804 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 17' ' ' HIS . 1.1 pp -44.65 -25.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.325 -0.859 . . . . 0.0 109.376 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.565 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -79.38 -34.27 42.12 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.4 -0.813 . . . . 0.0 109.115 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.29 -17.15 63.71 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.202 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 16' ' ' ILE . 1.3 mp -90.85 -36.48 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.295 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.21 -34.49 69.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.208 -0.933 . . . . 0.0 108.558 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 97.6 m -88.9 -51.22 5.74 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.508 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.759 0.314 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -48.76 -22.0 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.672 -1.268 . . . . 0.0 109.74 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.91 -39.63 6.43 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 106.811 -2.516 . . . . 0.0 106.811 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 16.2 mmtt -81.69 -33.23 31.33 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.5 m -47.28 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.247 -0.908 . . . . 0.0 109.248 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.796 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 tp -44.44 -43.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.305 -0.872 . . . . 0.0 109.152 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.587 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.7 t-80 -54.5 -32.48 58.08 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.345 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.93 -18.54 63.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.012 . . . . 0.0 110.378 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 15' ' ' THR . 5.0 mp -98.12 -24.28 15.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 110.661 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.796 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -74.93 -39.64 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 29.8 m -91.75 -39.17 11.95 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.154 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.545 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 3.5 t-80 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.178 0.513 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -52.16 -20.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.538 179.631 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -39.45 7.95 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 106.711 -2.555 . . . . 0.0 106.711 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -80.51 -33.54 36.38 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.267 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 8.1 m -54.25 -72.44 0.06 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -47.53 -25.09 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.435 -0.791 . . . . 0.0 109.646 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.9 t-80 -78.38 -36.05 46.45 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.302 -0.873 . . . . 0.0 108.836 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -65.63 -16.92 64.19 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.585 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -83.11 -59.08 2.59 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.411 -0.806 . . . . 0.0 110.203 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.11 -39.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 CA-C-O 121.936 0.874 . . . . 0.0 108.702 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.527 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 79.4 m -83.15 -59.14 2.57 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.156 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 19' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -49.19 -21.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.037 -1.039 . . . . 0.0 110.198 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.12 -39.72 6.92 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.9 -33.29 34.31 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.357 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.48 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.608 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 20' ' ' VAL . 8.8 pt -45.25 -29.21 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.387 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.4 t-80 -71.03 -32.53 69.31 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.432 -0.792 . . . . 0.0 109.172 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.27 -11.45 59.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -91.14 -29.48 17.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -72.19 -33.13 45.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -88.52 -48.38 7.63 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.201 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.552 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' VAL . 6.7 t-80 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.592 0.234 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.544 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -45.05 -23.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.784 -1.198 . . . . 0.0 109.838 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.53 -36.1 7.71 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 106.346 -2.702 . . . . 0.0 106.346 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.1 ttpt -81.59 -34.02 31.22 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.9 m -51.92 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.338 -0.851 . . . . 0.0 109.691 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.8 pt -44.83 -27.58 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.267 -0.895 . . . . 0.0 109.328 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.585 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.2 t-80 -72.25 -33.54 67.58 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.397 -0.815 . . . . 0.0 109.101 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.29 -17.34 64.43 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.888 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -88.91 -57.46 2.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.43 -0.794 . . . . 0.0 109.807 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -42.71 -42.15 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.863 0.84 . . . . 0.0 108.989 179.593 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.573 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 14.2 m -85.07 -54.88 4.35 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.311 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' VAL . 29.2 t-80 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -46.7 -23.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 120.61 -1.306 . . . . 0.0 109.638 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.99 -38.89 6.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.09 -33.52 33.29 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.184 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.7 m -50.66 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.38 -0.825 . . . . 0.0 109.667 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.3 pt -45.22 -25.64 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.277 -0.89 . . . . 0.0 109.468 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.526 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.5 t-80 -75.49 -33.5 60.79 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.333 -0.854 . . . . 0.0 108.949 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.67 -17.04 61.19 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.821 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.38 -51.49 7.81 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.768 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -50.11 -40.65 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.5 m -78.9 -58.2 3.36 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.407 0.623 . . . . 0.0 110.387 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.517 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.833 0.349 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -48.11 -22.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 120.741 -1.224 . . . . 0.0 109.85 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.61 -38.77 5.61 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 106.809 -2.517 . . . . 0.0 106.809 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.45 -36.08 34.09 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.242 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.551 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 7.2 m -50.69 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.804 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.5 pt -44.21 -28.45 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.275 -0.89 . . . . 0.0 109.382 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.565 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-80 -76.24 -34.62 59.19 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.387 -0.821 . . . . 0.0 109.055 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -70.24 -18.75 63.15 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.616 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' VAL . 8.8 mt -76.97 -59.32 2.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.75 -41.33 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.905 0.859 . . . . 0.0 108.847 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.571 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.59 -56.49 3.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.413 -179.021 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.544 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.095 0.474 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -52.26 -19.86 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.93 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.82 -40.7 9.54 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 106.831 -2.508 . . . . 0.0 106.831 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 mmtt -80.92 -31.88 34.87 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.4 m -52.28 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 pt -46.05 -29.11 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.318 -0.864 . . . . 0.0 109.066 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.2 t-80 -74.86 -31.47 61.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -71.09 -18.12 62.55 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.301 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -92.96 -33.14 14.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.1 -1.0 . . . . 0.0 110.497 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.67 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.13 -0.981 . . . . 0.0 108.363 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 4.0 m -88.28 -48.77 7.42 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.395 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.611 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 120.546 0.213 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.7 m -43.31 -23.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.633 -1.292 . . . . 0.0 110.89 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.21 -37.92 8.33 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 106.582 -2.607 . . . . 0.0 106.582 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.33 -32.52 33.0 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.112 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.9 m -50.78 -85.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.643 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.862 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -45.34 -25.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.853 . . . . 0.0 109.598 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t-80 -72.54 -32.15 65.85 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.277 -0.89 . . . . 0.0 109.021 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.135 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 19' ' ' LEU . 5.6 mp -86.23 -28.39 23.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.23 -0.919 . . . . 0.0 110.216 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.862 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -71.11 -34.78 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.905 . . . . 0.0 108.561 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 1.4 p -90.18 -46.9 8.14 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.501 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.157 0.503 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -51.79 -19.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.853 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.63 -41.4 6.97 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 107.039 -2.425 . . . . 0.0 107.039 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 3.9 mttp -81.2 -31.9 33.75 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.673 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.6 m -51.44 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.104 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.673 ' N ' HG22 ' A' ' 15' ' ' THR . 1.2 tp -40.83 -35.08 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.51 -0.743 . . . . 0.0 109.61 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -60.91 -40.21 92.29 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.241 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.5 -29.76 70.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.123 -0.986 . . . . 0.0 109.565 -179.567 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -60.45 -59.92 4.64 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.656 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -45.31 -32.74 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -85.38 -61.35 1.78 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.421 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' VAL . 1.3 t-80 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.539 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -47.81 -22.72 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.628 -1.295 . . . . 0.0 109.658 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -43.99 -38.81 4.81 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 106.812 -2.515 . . . . 0.0 106.812 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -81.35 -36.56 29.52 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.071 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.4 m -46.81 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.266 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.674 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.16 -46.32 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.161 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.7 t-80 -54.96 -34.56 63.4 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.044 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -68.86 -20.09 64.26 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.26 -0.9 . . . . 0.0 110.292 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -87.82 -52.98 4.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 109.829 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -44.62 -41.61 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.561 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.1 m -86.25 -56.67 3.34 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.224 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.155 0.502 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -50.38 -20.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.98 -1.075 . . . . 0.0 109.959 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.51 -40.9 6.55 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -81.18 -32.73 33.45 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.348 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.1 m -49.74 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.892 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.45 -32.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.4 t-80 -65.64 -33.15 75.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.34 -0.85 . . . . 0.0 109.038 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.97 -20.12 56.5 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.537 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.7 mp -83.62 -26.49 29.91 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.486 -0.886 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -76.7 -30.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.4 m -89.07 -47.07 8.36 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.429 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.568 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' N ' ' ND1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.557 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.3 m -45.57 -23.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.429 -1.419 . . . . 0.0 110.475 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.25 -36.76 7.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 13.2 mmtt -80.58 -34.03 35.56 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.6 m -45.54 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 109.467 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.627 ' N ' HG22 ' A' ' 15' ' ' THR . 2.0 pp -45.02 -37.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.425 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 2.0 t-80 -65.25 -32.54 74.25 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.236 -0.915 . . . . 0.0 108.881 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.86 -25.36 61.07 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.347 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HA ' ' OXT' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -67.69 -58.93 3.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.995 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.587 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -44.42 -43.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 CA-C-O 121.654 0.74 . . . . 0.0 109.065 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.587 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 8.9 t -81.31 -45.72 15.78 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.414 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.573 ' N ' HG23 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.941 -1.477 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.558 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -51.45 -20.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 109.598 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.77 -40.36 6.62 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 107.006 -2.438 . . . . 0.0 107.006 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 17.8 mttp -81.11 -32.72 33.7 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 16' ' ' ILE . 4.8 m -52.3 -81.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 0.0 109.42 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.5 pt -45.83 -30.03 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.253 -0.905 . . . . 0.0 109.286 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.1 t-80 -68.03 -33.52 74.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -14.01 61.49 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.758 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 15' ' ' THR . 4.2 mp -94.3 -28.28 15.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.893 . . . . 0.0 110.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -73.73 -31.98 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.467 HG22 ' OXT' ' A' ' 22' ' ' GLY . 3.3 m -90.87 -47.42 7.62 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.194 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' OXT' HG22 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 120.784 0.326 . . . . 0.0 110.729 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -46.9 -21.79 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.554 -1.341 . . . . 0.0 110.376 -179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.97 -39.36 6.38 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.98 -2.448 . . . . 0.0 106.98 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.59 -33.82 35.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 5.3 m -52.09 -72.47 0.05 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 0.0 109.256 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.804 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -43.97 -37.83 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.377 -0.827 . . . . 0.0 109.283 179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.3 t-80 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 108.861 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.45 -24.69 57.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.255 -0.903 . . . . 0.0 109.297 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 19' ' ' LEU . 3.1 mt -68.56 -51.85 38.31 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.65 0.738 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.804 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -52.16 -34.6 18.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -84.89 -56.21 3.69 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.338 -179.025 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.574 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.935 0.398 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -48.64 -21.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.759 -1.213 . . . . 0.0 109.755 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.57 -38.8 5.56 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 106.85 -2.5 . . . . 0.0 106.85 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.3 mptp? -80.9 -35.71 32.13 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.548 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -49.82 -79.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 0.0 109.634 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.732 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.13 -31.72 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.26 -0.9 . . . . 0.0 109.53 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.5 t-80 -70.82 -34.03 71.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 108.995 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.628 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -24.74 43.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.628 HD22 ' HD2' ' A' ' 18' ' ' ARG . 1.9 mm? -68.8 -34.94 76.36 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.395 -0.816 . . . . 0.0 109.758 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.3 m -70.48 -30.35 42.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -87.22 -47.97 8.42 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.217 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.586 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.538 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -50.69 -21.41 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.672 -1.268 . . . . 0.0 109.333 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -38.02 7.06 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 106.644 -2.582 . . . . 0.0 106.644 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 2.6 mptp? -81.37 -34.03 31.98 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.65 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.416 -0.803 . . . . 0.0 109.507 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 15' ' ' THR . 7.2 pt -45.56 -28.27 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.218 -0.927 . . . . 0.0 109.363 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.568 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.5 t-80 -71.65 -32.9 68.42 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.363 -0.835 . . . . 0.0 109.004 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.33 -14.99 63.23 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.533 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 19' ' ' LEU . 2.6 mt -85.92 -54.24 4.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.399 -0.813 . . . . 0.0 109.936 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -47.51 -41.97 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.576 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 16.3 m -81.05 -55.31 4.86 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 119.896 -0.721 . . . . 0.0 110.369 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.457 ' ND1' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.558 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.2 m -47.69 -21.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 120.584 -1.323 . . . . 0.0 109.946 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.69 -39.03 5.83 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 106.93 -2.468 . . . . 0.0 106.93 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -81.33 -33.48 32.46 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.235 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 16' ' ' ILE . 5.2 m -52.27 -81.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.394 -0.816 . . . . 0.0 109.552 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -45.61 -25.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.346 -0.846 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-80 -74.48 -34.14 63.03 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.376 -0.827 . . . . 0.0 108.803 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.1 tmt_? -66.92 -19.69 65.77 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.414 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.95 -57.73 3.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.451 -0.78 . . . . 0.0 110.072 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.55 -41.5 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.851 0.834 . . . . 0.0 108.856 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.56 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.94 -56.5 3.78 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.348 -179.135 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.031 -1.427 . . . . 0.0 109.572 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.037 0.446 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -52.0 -20.1 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.98 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.28 -41.02 8.15 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 106.963 -2.455 . . . . 0.0 106.963 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.86 -31.81 35.21 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.439 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 6.4 m -53.37 -81.19 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.235 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 19' ' ' LEU . 1.2 tp -40.66 -34.75 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.536 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -63.64 -42.14 98.18 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.205 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.44 -30.21 70.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.032 -1.042 . . . . 0.0 109.529 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.5 mt -60.5 -61.09 2.85 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.535 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -45.3 -32.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.4 m -82.21 -63.05 1.46 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.443 0.64 . . . . 0.0 110.359 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.955 -1.47 . . . . 0.0 109.477 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -49.39 -21.78 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.77 -1.207 . . . . 0.0 109.835 -179.658 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.8 -39.4 8.46 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.23 -32.42 33.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.452 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -48.24 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.242 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -45.33 -45.81 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.003 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 t-80 -57.94 -30.01 65.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.324 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.47 -32.15 54.18 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.588 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.9 mm? -64.92 -35.81 82.37 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 110.15 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.1 m -69.66 -30.69 45.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-O 121.919 0.866 . . . . 0.0 108.707 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.404 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 15.8 m -88.69 -46.04 9.34 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.41 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.507 ' O ' ' NH2' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.949 -1.473 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.8 t-80 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -47.13 -22.89 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.559 -1.338 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.4 -37.99 8.8 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 mttm -80.58 -32.97 36.36 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' LEU . 4.3 m -52.8 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.413 -0.804 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.824 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.65 -25.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.325 -0.859 . . . . 0.0 109.376 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.556 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.3 t-80 -79.38 -34.27 42.12 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.4 -0.813 . . . . 0.0 109.115 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.29 -17.15 63.71 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.202 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' THR . 1.3 mp -90.85 -36.48 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.295 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.21 -34.49 69.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.208 -0.933 . . . . 0.0 108.558 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 97.6 m -88.9 -51.22 5.74 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.508 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.286 0.565 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.83 52.57 0.85 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.258 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -115.62 -11.58 11.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 0.0 110.123 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -96.5 -27.4 14.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.19 -0.944 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.471 HD12 ' HD2' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -75.58 -23.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 110.317 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HD2' HD12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -127.64 168.36 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.268 -0.895 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 9.9 ptt-85 -54.35 -173.67 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 49.7 Cg_endo -76.97 74.29 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 O-C-N 123.777 1.409 . . . . 0.0 110.438 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.8 pt -81.1 38.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.892 . . . . 0.0 110.739 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 10' ' ' VAL . 10.7 p -80.31 5.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.951 -1.093 . . . . 0.0 110.431 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' VAL . 1.2 t-80 -53.89 -100.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.296 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -48.76 -22.0 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.672 -1.268 . . . . 0.0 109.74 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.91 -39.63 6.43 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 106.811 -2.516 . . . . 0.0 106.811 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 16.2 mmtt -81.69 -33.23 31.33 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.5 m -47.28 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.247 -0.908 . . . . 0.0 109.248 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.796 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 tp -44.44 -43.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.305 -0.872 . . . . 0.0 109.152 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.587 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.7 t-80 -54.5 -32.48 58.08 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.345 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.93 -18.54 63.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.012 . . . . 0.0 110.378 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 15' ' ' THR . 5.0 mp -98.12 -24.28 15.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 110.661 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.796 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -74.93 -39.64 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 29.8 m -91.75 -39.17 11.95 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.154 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.545 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' O ' HG13 ' A' ' 5' ' ' ILE . 7.8 m-85 -75.78 -7.05 53.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.4 m-70 -89.67 -18.1 27.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.031 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.03 12.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -116.61 -47.91 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.032 -1.042 . . . . 0.0 111.067 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.74 62.59 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.799 -1.188 . . . . 0.0 112.098 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.812 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -156.71 -76.24 0.01 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.994 -1.066 . . . . 0.0 110.759 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' CD ' ' HB3' ' A' ' 7' ' ' ARG . 46.2 Cg_endo -49.04 -21.95 4.53 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.677 1.356 . . . . 0.0 110.497 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 10' ' ' VAL . 9.6 tt -48.48 -32.42 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.812 HG12 ' O ' ' A' ' 7' ' ' ARG . 7.7 p -80.47 148.99 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.129 -0.982 . . . . 0.0 111.305 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 3.5 t-80 -47.87 -68.67 0.17 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.753 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -52.16 -20.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.538 179.631 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.711 ' H ' HG13 ' A' ' 10' ' ' VAL . . . -45.59 -39.45 7.95 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 106.711 -2.555 . . . . 0.0 106.711 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -80.51 -33.54 36.38 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.267 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 8.1 m -54.25 -72.44 0.06 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -47.53 -25.09 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.435 -0.791 . . . . 0.0 109.646 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.9 t-80 -78.38 -36.05 46.45 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.302 -0.873 . . . . 0.0 108.836 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -65.63 -16.92 64.19 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.585 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -83.11 -59.08 2.59 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.411 -0.806 . . . . 0.0 110.203 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.11 -39.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 CA-C-O 121.936 0.874 . . . . 0.0 108.702 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.527 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 79.4 m -83.15 -59.14 2.57 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.156 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 19' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.697 ' CD1' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -80.66 12.39 3.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.247 -0.908 . . . . 0.0 110.647 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -100.62 -24.42 14.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.03 -1.044 . . . . 0.0 110.535 -179.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -92.83 -23.75 18.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 2' ' ' PHE . 1.1 pt -81.96 -25.19 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.264 -0.898 . . . . 0.0 110.589 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -153.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.0 111.119 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.614 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -50.76 -81.88 0.01 OUTLIER Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.606 -0.684 . . . . 0.0 111.118 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.614 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 46.4 Cg_endo -39.8 94.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 124.027 1.54 . . . . 0.0 110.824 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' ARG . 3.7 mt -80.41 -130.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 0.0 109.527 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.736 HG13 ' HA3' ' A' ' 13' ' ' GLY . 2.7 p -70.55 155.95 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.867 -1.146 . . . . 0.0 110.462 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -51.91 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.439 -0.788 . . . . 0.0 110.877 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -49.19 -21.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.037 -1.039 . . . . 0.0 110.198 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.736 ' HA3' HG13 ' A' ' 10' ' ' VAL . . . -45.12 -39.72 6.92 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.9 -33.29 34.31 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.357 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.48 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.608 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 20' ' ' VAL . 8.8 pt -45.25 -29.21 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.387 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.4 t-80 -71.03 -32.53 69.31 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.432 -0.792 . . . . 0.0 109.172 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.27 -11.45 59.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -91.14 -29.48 17.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -72.19 -33.13 45.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -88.52 -48.38 7.63 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.201 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.552 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.202 0.525 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.83 ' HA ' HD11 ' A' ' 5' ' ' ILE . 7.9 m-85 -78.71 52.55 1.22 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.2 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.586 ' O ' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -124.17 8.72 8.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' H ' HD13 ' A' ' 5' ' ' ILE . 2.0 m-70 -120.29 12.35 11.72 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.844 . . . . 0.0 109.701 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -121.52 -42.49 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.515 -0.74 . . . . 0.0 110.436 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.5 p90 -29.44 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.205 0.526 . . . . 0.0 112.104 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER 27.44 41.64 0.05 OUTLIER Pre-proline 0 N--CA 1.504 2.267 0 O-C-N 122.081 -0.387 . . . . 0.0 111.661 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PHE . 51.6 Cg_endo -54.71 -160.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.299 -2.039 0 O-C-N 124.099 1.578 . . . . 0.0 110.363 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 9' ' ' ILE . 10.0 tt -70.05 55.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.066 -1.021 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' HA3' ' A' ' 13' ' ' GLY . 9.8 p -80.53 134.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 110.22 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' VAL . 6.7 t-80 -65.6 -124.24 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.064 -1.023 . . . . 0.0 110.535 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -45.05 -23.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.784 -1.198 . . . . 0.0 109.838 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.533 ' HA3' ' CG2' ' A' ' 10' ' ' VAL . . . -46.53 -36.1 7.71 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 106.346 -2.702 . . . . 0.0 106.346 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.1 ttpt -81.59 -34.02 31.22 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.9 m -51.92 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.338 -0.851 . . . . 0.0 109.691 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.8 pt -44.83 -27.58 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.267 -0.895 . . . . 0.0 109.328 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.585 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.2 t-80 -72.25 -33.54 67.58 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.397 -0.815 . . . . 0.0 109.101 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.29 -17.34 64.43 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.888 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -88.91 -57.46 2.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.43 -0.794 . . . . 0.0 109.807 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -42.71 -42.15 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.863 0.84 . . . . 0.0 108.989 179.593 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.573 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 14.2 m -85.07 -54.88 4.35 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.311 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.397 0.618 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.992 ' CG ' HD11 ' A' ' 5' ' ' ILE . 1.5 m-85 -49.07 -89.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.0 110.087 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.595 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER 70.93 -55.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -25.37 67.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.97 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.992 HD11 ' CG ' ' A' ' 2' ' ' PHE . 1.2 pt -106.28 -26.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 110.522 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.529 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -78.96 -148.13 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.524 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -136.37 52.96 6.87 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.047 . . . . 0.0 111.739 -178.456 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG3' ' CG ' ' A' ' 3' ' ' HIS . 50.6 Cg_endo -87.76 143.36 6.07 Favored 'Trans proline' 0 C--N 1.302 -1.871 0 O-C-N 123.559 1.294 . . . . 0.0 110.074 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 9' ' ' ILE . 33.9 mt -74.36 80.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -0.913 . . . . 0.0 110.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 13' ' ' GLY . 42.4 t -43.92 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 110.378 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' VAL . 29.2 t-80 -65.83 -114.37 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.317 -0.864 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -46.7 -23.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 120.61 -1.306 . . . . 0.0 109.638 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.99 -38.89 6.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.09 -33.52 33.29 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.184 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.7 m -50.66 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.38 -0.825 . . . . 0.0 109.667 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.3 pt -45.22 -25.64 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.277 -0.89 . . . . 0.0 109.468 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.526 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.5 t-80 -75.49 -33.5 60.79 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.333 -0.854 . . . . 0.0 108.949 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.67 -17.04 61.19 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.821 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.38 -51.49 7.81 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.768 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -50.11 -40.65 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.5 m -78.9 -58.2 3.36 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.407 0.623 . . . . 0.0 110.387 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.517 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.899 ' HA ' HD11 ' A' ' 5' ' ' ILE . 9.2 m-85 -80.02 54.14 1.85 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -107.05 6.1 28.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 0.0 110.197 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' C ' HD13 ' A' ' 5' ' ' ILE . 29.2 m170 -114.03 7.64 16.84 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.233 -0.917 . . . . 0.0 109.625 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.899 HD11 ' HA ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -119.96 -48.05 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.597 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -105.84 -24.74 12.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.31 -0.869 . . . . 0.0 110.33 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.61 -72.85 0.14 Allowed Pre-proline 0 C--N 1.3 -1.571 0 O-C-N 121.686 -0.634 . . . . 0.0 111.457 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 45.2 Cg_endo -41.8 154.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.819 1.431 . . . . 0.0 110.593 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.4 80.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.355 -0.841 . . . . 0.0 110.376 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 20.4 m -69.61 -24.23 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.336 -0.853 . . . . 0.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -99.8 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 110.432 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -48.11 -22.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 120.741 -1.224 . . . . 0.0 109.85 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.61 -38.77 5.61 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 106.809 -2.517 . . . . 0.0 106.809 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.45 -36.08 34.09 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.242 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.551 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 7.2 m -50.69 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.804 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.5 pt -44.21 -28.45 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.275 -0.89 . . . . 0.0 109.382 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.565 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-80 -76.24 -34.62 59.19 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.387 -0.821 . . . . 0.0 109.055 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -70.24 -18.75 63.15 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.616 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' VAL . 8.8 mt -76.97 -59.32 2.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.75 -41.33 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.905 0.859 . . . . 0.0 108.847 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.571 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.59 -56.49 3.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.413 -179.021 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.544 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.288 0.566 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -78.78 -12.51 60.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.095 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.51 -4.12 49.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.208 -0.932 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -103.32 -30.9 10.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.3 pp -75.97 -25.11 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -0.868 . . . . 0.0 110.458 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -141.54 -154.04 0.5 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.931 . . . . 0.0 110.565 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.555 ' CB ' ' HD2' ' A' ' 8' ' ' PRO . 5.1 ptp85 -139.63 -178.92 0.91 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.395 -0.816 . . . . 0.0 109.678 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 7' ' ' ARG . 48.1 Cg_endo -57.21 98.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.445 1.234 . . . . 0.0 110.076 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 7' ' ' ARG . 1.1 pp -79.88 46.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.83 . . . . 0.0 110.892 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.41 -15.94 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.975 . . . . 0.0 109.386 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -51.01 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.563 -0.711 . . . . 0.0 110.322 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -52.26 -19.86 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.93 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.82 -40.7 9.54 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 106.831 -2.508 . . . . 0.0 106.831 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 mmtt -80.92 -31.88 34.87 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.4 m -52.28 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 pt -46.05 -29.11 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.318 -0.864 . . . . 0.0 109.066 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.2 t-80 -74.86 -31.47 61.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -71.09 -18.12 62.55 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.301 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -92.96 -33.14 14.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.1 -1.0 . . . . 0.0 110.497 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.67 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.13 -0.981 . . . . 0.0 108.363 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 4.0 m -88.28 -48.77 7.42 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.395 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.611 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.221 0.534 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.67 49.96 1.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -134.22 -34.91 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 0.0 110.418 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.13 -26.95 22.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.207 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.4 pp -78.59 -25.57 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.372 -0.83 . . . . 0.0 110.34 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -143.72 -153.54 0.48 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.868 . . . . 0.0 110.487 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -143.77 -167.33 0.15 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.311 -0.868 . . . . 0.0 110.07 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 45.9 Cg_endo -112.07 -57.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 123.973 1.512 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.98 77.39 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.252 -0.905 . . . . 0.0 110.295 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG13 ' HA3' ' A' ' 13' ' ' GLY . 2.3 p -55.41 150.97 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.957 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 13' ' ' GLY . 0.0 OUTLIER -62.75 -109.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 111.17 -179.308 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.7 m -43.31 -23.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.633 -1.292 . . . . 0.0 110.89 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.54 ' HA3' HG13 ' A' ' 10' ' ' VAL . . . -46.21 -37.92 8.33 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 106.582 -2.607 . . . . 0.0 106.582 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.33 -32.52 33.0 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.112 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.9 m -50.78 -85.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.643 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.862 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -45.34 -25.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.853 . . . . 0.0 109.598 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t-80 -72.54 -32.15 65.85 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.277 -0.89 . . . . 0.0 109.021 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.135 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 19' ' ' LEU . 5.6 mp -86.23 -28.39 23.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.23 -0.919 . . . . 0.0 110.216 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.862 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -71.11 -34.78 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.905 . . . . 0.0 108.561 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 1.4 p -90.18 -46.9 8.14 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.501 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.221 0.534 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -64.41 -14.16 55.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' O ' ' O ' ' A' ' 7' ' ' ARG . 4.5 m80 -79.56 -21.54 44.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -89.43 -22.12 22.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.1 pp -68.75 -23.78 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 110.206 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -117.06 -72.42 0.69 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -0.855 . . . . 0.0 110.26 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH1' ' HA ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -159.86 168.32 12.33 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.273 -0.892 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -105.39 122.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 124.101 1.579 . . . . 0.0 110.332 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.477 ' HA ' ' NH1' ' A' ' 7' ' ' ARG . 1.1 pt -72.1 57.86 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 110.208 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 11' ' ' HIS . 11.5 p -64.0 -40.31 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.211 -0.931 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.545 ' N ' HG13 ' A' ' 10' ' ' VAL . 8.6 t-80 -43.51 -77.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -51.79 -19.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.853 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.63 -41.4 6.97 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 107.039 -2.425 . . . . 0.0 107.039 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 3.9 mttp -81.2 -31.9 33.75 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.673 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.6 m -51.44 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.104 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.673 ' N ' HG22 ' A' ' 15' ' ' THR . 1.2 tp -40.83 -35.08 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.51 -0.743 . . . . 0.0 109.61 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.4 OUTLIER -60.91 -40.21 92.29 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.241 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.5 -29.76 70.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.123 -0.986 . . . . 0.0 109.565 -179.567 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -60.45 -59.92 4.64 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.656 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -45.31 -32.74 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -85.38 -61.35 1.78 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.421 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.317 0.58 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.469 ' HD1' HD11 ' A' ' 5' ' ' ILE . 3.8 t80 -58.51 -23.79 58.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.206 -0.934 . . . . 0.0 110.176 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -85.39 -6.47 59.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -92.81 -29.78 15.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -0.892 . . . . 0.0 110.386 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 9.1 pt -83.33 -43.98 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.935 . . . . 0.0 110.382 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.555 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -118.56 175.29 5.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 110.483 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -89.2 173.42 6.04 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 0.0 110.04 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 48.7 Cg_endo -75.29 119.62 5.64 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.734 1.386 . . . . 0.0 110.286 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' GLY . 1.5 mp -71.96 -58.21 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.314 -0.867 . . . . 0.0 110.549 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 11' ' ' HIS . 9.2 p -40.7 -40.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.497 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' N ' HG13 ' A' ' 10' ' ' VAL . 1.3 t-80 -63.07 -103.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -47.81 -22.72 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.628 -1.295 . . . . 0.0 109.658 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . . . -43.99 -38.81 4.81 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 106.812 -2.515 . . . . 0.0 106.812 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -81.35 -36.56 29.52 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.071 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.4 m -46.81 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.266 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.674 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.16 -46.32 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.161 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.7 t-80 -54.96 -34.56 63.4 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.044 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -68.86 -20.09 64.26 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.26 -0.9 . . . . 0.0 110.292 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -87.82 -52.98 4.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 109.829 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -44.62 -41.61 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.561 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.1 m -86.25 -56.67 3.34 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.224 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.227 0.537 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.897 ' HA ' HD11 ' A' ' 5' ' ' ILE . 9.7 m-85 -79.9 53.64 1.71 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.085 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 13.0 t-80 -112.42 -5.58 14.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.42 -0.8 . . . . 0.0 110.087 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -102.6 6.95 40.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.897 HD11 ' HA ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -114.06 -49.68 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.111 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 7' ' ' ARG . 3.6 p90 -96.33 -162.19 0.93 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.016 -1.053 . . . . 0.0 109.98 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 3.1 ttt180 56.96 -152.66 0.01 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 109.725 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HD2' ' CG ' ' A' ' 7' ' ' ARG . 44.0 Cg_endo -93.89 87.28 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 O-C-N 123.613 1.323 . . . . 0.0 110.406 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' ILE . 6.8 tt -59.42 78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.452 -0.78 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.4 p -70.4 -5.14 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 0.0 110.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -44.47 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -50.38 -20.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.98 -1.075 . . . . 0.0 109.959 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.51 -40.9 6.55 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -81.18 -32.73 33.45 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.1 m -49.74 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.892 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.45 -32.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.4 t-80 -65.64 -33.15 75.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.34 -0.85 . . . . 0.0 109.038 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.97 -20.12 56.5 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.537 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.7 mp -83.62 -26.49 29.91 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.486 -0.886 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -76.7 -30.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.4 m -89.07 -47.07 8.36 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.429 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.568 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.187 0.518 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -74.2 0.54 13.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -60.17 -13.35 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.129 -0.982 . . . . 0.0 110.065 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 -35.98 9.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.5 pp -91.47 -26.24 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 110.659 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -134.54 -150.61 0.4 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 0.0 110.234 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -86.56 -150.49 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.356 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.573 ' HD2' ' CG ' ' A' ' 7' ' ' ARG . 50.5 Cg_endo -115.22 36.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.866 1.456 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' ' CE1' ' A' ' 11' ' ' HIS . 2.5 mp -46.66 -26.15 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.023 -1.048 . . . . 0.0 109.816 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' A' ' 11' ' ' HIS . 6.4 m -79.98 -3.08 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.495 -0.753 . . . . 0.0 110.41 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -39.31 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 111.42 -178.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.557 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.3 m -45.57 -23.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.429 -1.419 . . . . 0.0 110.475 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.25 -36.76 7.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 13.2 mmtt -80.58 -34.03 35.56 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.6 m -45.54 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 109.467 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.627 ' N ' HG22 ' A' ' 15' ' ' THR . 2.0 pp -45.02 -37.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.425 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 14' ' ' LYS . 2.0 t-80 -65.25 -32.54 74.25 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.236 -0.915 . . . . 0.0 108.881 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.86 -25.36 61.07 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.347 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HA ' ' OXT' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -67.69 -58.93 3.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.995 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.587 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -44.42 -43.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 CA-C-O 121.654 0.74 . . . . 0.0 109.065 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.587 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 8.9 t -81.31 -45.72 15.78 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.414 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.573 ' N ' HG23 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.941 -1.477 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.287 0.565 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' A' ' 2' ' ' PHE . 4.8 t80 -80.15 51.0 1.31 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.08 13.95 3.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.253 -0.904 . . . . 0.0 110.162 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -114.79 -32.9 5.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.234 -0.916 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.536 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.3 pp -85.42 -24.94 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.236 -0.915 . . . . 0.0 110.424 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -102.99 158.17 16.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.188 -0.945 . . . . 0.0 110.354 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER 39.0 -161.97 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.636 -0.665 . . . . 0.0 110.699 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 50.7 Cg_endo -118.87 -158.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.643 0 O-C-N 123.877 1.461 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.788 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -78.53 50.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.139 -0.975 . . . . 0.0 109.962 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' CG1' ' HD3' ' A' ' 7' ' ' ARG . 9.6 p -79.54 -2.33 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.0 110.137 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' VAL . 2.8 t-80 -40.88 -84.42 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.558 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -51.45 -20.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 109.598 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.77 -40.36 6.62 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 107.006 -2.438 . . . . 0.0 107.006 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 17.8 mttp -81.11 -32.72 33.7 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 16' ' ' ILE . 4.8 m -52.3 -81.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 0.0 109.42 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.5 pt -45.83 -30.03 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.253 -0.905 . . . . 0.0 109.286 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.1 t-80 -68.03 -33.52 74.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -14.01 61.49 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.758 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 15' ' ' THR . 4.2 mp -94.3 -28.28 15.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.893 . . . . 0.0 110.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -73.73 -31.98 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.467 HG22 ' OXT' ' A' ' 22' ' ' GLY . 3.3 m -90.87 -47.42 7.62 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.194 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' OXT' HG22 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.223 0.535 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.518 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 65.5 m-85 -77.81 52.6 1.05 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 110.057 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -80.48 -0.61 38.12 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.282 -0.886 . . . . 0.0 110.444 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -102.51 -28.26 12.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.893 . . . . 0.0 110.215 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CG1' ' HB3' ' A' ' 2' ' ' PHE . 1.1 pt -97.04 -23.42 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 110.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -118.09 -167.85 1.42 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -113.01 -169.48 0.15 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.326 -0.859 . . . . 0.0 110.176 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 47.8 Cg_endo -111.89 141.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.019 1.537 . . . . 0.0 110.295 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -78.65 65.32 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.281 -0.887 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 11' ' ' HIS . 26.2 t -80.15 -65.4 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.279 -0.888 . . . . 0.0 110.227 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' N ' ' ND1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -41.05 -92.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.324 -0.86 . . . . 0.0 110.729 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.567 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -46.9 -21.79 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.554 -1.341 . . . . 0.0 110.376 -179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.97 -39.36 6.38 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.98 -2.448 . . . . 0.0 106.98 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.59 -33.82 35.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 5.3 m -52.09 -72.47 0.05 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 0.0 109.256 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.804 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -43.97 -37.83 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.377 -0.827 . . . . 0.0 109.283 179.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.3 t-80 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 108.861 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.45 -24.69 57.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.255 -0.903 . . . . 0.0 109.297 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 19' ' ' LEU . 3.1 mt -68.56 -51.85 38.31 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.65 0.738 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.804 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -52.16 -34.6 18.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -84.89 -56.21 3.69 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.338 -179.025 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.574 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.264 0.554 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.503 ' HA ' HG12 ' A' ' 5' ' ' ILE . 6.0 t80 -80.03 -14.59 58.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.59 1.91 50.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.222 -0.924 . . . . 0.0 110.219 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.54 -23.99 11.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.0 110.168 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 2' ' ' PHE . 1.1 pt -76.69 -25.61 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.275 -0.891 . . . . 0.0 110.403 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -157.97 0.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.232 -0.917 . . . . 0.0 110.313 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' NH1' ' HB ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -91.62 153.49 43.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.131 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -109.67 -14.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 O-C-N 124.011 1.532 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.15 -20.52 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 0.0 110.206 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' HB ' ' NH1' ' A' ' 7' ' ' ARG . 10.5 p -66.31 -27.2 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.202 -0.936 . . . . 0.0 110.372 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.16 -95.64 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 110.104 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -48.64 -21.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.759 -1.213 . . . . 0.0 109.755 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.57 -38.8 5.56 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 106.85 -2.5 . . . . 0.0 106.85 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.3 mptp? -80.9 -35.71 32.13 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.548 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -49.82 -79.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 0.0 109.634 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.732 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.13 -31.72 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.26 -0.9 . . . . 0.0 109.53 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.5 t-80 -70.82 -34.03 71.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 108.995 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.628 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -24.74 43.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.628 HD22 ' HD2' ' A' ' 18' ' ' ARG . 1.9 mm? -68.8 -34.94 76.36 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.395 -0.816 . . . . 0.0 109.758 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.3 m -70.48 -30.35 42.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -87.22 -47.97 8.42 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.217 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.586 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.229 0.538 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.501 ' HA ' HG12 ' A' ' 5' ' ' ILE . 9.8 m-85 -78.74 4.33 14.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -92.7 -23.88 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.197 -0.94 . . . . 0.0 110.212 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.32 -24.35 19.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.214 -0.928 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 6' ' ' PHE . 2.6 pp -66.52 -32.96 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -116.82 -149.53 0.44 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 110.202 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 2.4 ppt_? -165.71 50.82 0.23 Allowed Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.923 -1.111 . . . . 0.0 111.564 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 6' ' ' PHE . 46.3 Cg_endo -79.07 156.83 26.59 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.465 1.245 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' HIS . 8.6 tp -80.57 9.28 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 110.215 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 11' ' ' HIS . 9.9 p -40.52 -27.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.321 -0.862 . . . . 0.0 110.664 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 10' ' ' VAL . 3.5 t-80 -51.25 -100.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.923 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -50.69 -21.41 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.672 -1.268 . . . . 0.0 109.333 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -38.02 7.06 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 106.644 -2.582 . . . . 0.0 106.644 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 2.6 mptp? -81.37 -34.03 31.98 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.65 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.416 -0.803 . . . . 0.0 109.507 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 15' ' ' THR . 7.2 pt -45.56 -28.27 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.218 -0.927 . . . . 0.0 109.363 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.568 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.5 t-80 -71.65 -32.9 68.42 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.363 -0.835 . . . . 0.0 109.004 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.33 -14.99 63.23 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.533 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 19' ' ' LEU . 2.6 mt -85.92 -54.24 4.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.399 -0.813 . . . . 0.0 109.936 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -47.51 -41.97 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.576 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 16.3 m -81.05 -55.31 4.86 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 119.896 -0.721 . . . . 0.0 110.369 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.332 0.587 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 3.06 13.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -99.71 -12.18 20.22 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.929 . . . . 0.0 110.319 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -35.98 17.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.282 -0.886 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.63 HD12 ' N ' ' A' ' 6' ' ' PHE . 2.6 pp -63.8 -35.3 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 110.088 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.63 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -113.42 -158.23 0.65 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 110.05 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -141.67 68.75 25.01 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.035 -1.041 . . . . 0.0 111.327 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 43.8 Cg_endo -114.79 77.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 O-C-N 123.673 1.354 . . . . 0.0 110.322 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.773 HG22 ' O ' ' A' ' 9' ' ' ILE . 3.2 mp -66.21 64.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.176 -0.953 . . . . 0.0 110.092 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 11' ' ' HIS . 11.2 p -80.07 -39.14 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.872 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -49.53 -99.66 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 110.258 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.2 m -47.69 -21.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 120.584 -1.323 . . . . 0.0 109.946 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.69 -39.03 5.83 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 106.93 -2.468 . . . . 0.0 106.93 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -81.33 -33.48 32.46 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.235 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 16' ' ' ILE . 5.2 m -52.27 -81.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.394 -0.816 . . . . 0.0 109.552 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -45.61 -25.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.346 -0.846 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-80 -74.48 -34.14 63.03 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.376 -0.827 . . . . 0.0 108.803 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.1 tmt_? -66.92 -19.69 65.77 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.414 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.95 -57.73 3.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.451 -0.78 . . . . 0.0 110.072 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.55 -41.5 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.851 0.834 . . . . 0.0 108.856 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.56 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.94 -56.5 3.78 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.348 -179.135 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.031 -1.427 . . . . 0.0 109.572 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.254 0.549 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.03 5.6 13.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -96.22 -13.85 23.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -90.23 -38.36 13.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 110.266 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 6' ' ' PHE . 2.7 pp -67.82 -35.4 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.861 . . . . 0.0 110.332 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -100.28 -147.15 0.35 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -0.911 . . . . 0.0 110.025 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -159.92 62.85 1.97 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.931 -1.106 . . . . 0.0 110.88 -179.503 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 6' ' ' PHE . 39.6 Cg_endo -92.52 -56.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.871 0 O-C-N 124.066 1.561 . . . . 0.0 110.341 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.75 47.68 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 110.031 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.57 -17.27 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -51.68 -85.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.172 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -52.0 -20.1 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.98 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.28 -41.02 8.15 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 106.963 -2.455 . . . . 0.0 106.963 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.86 -31.81 35.21 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.439 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 6.4 m -53.37 -81.19 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.235 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 19' ' ' LEU . 1.2 tp -40.66 -34.75 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.536 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -63.64 -42.14 98.18 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.205 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.44 -30.21 70.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.032 -1.042 . . . . 0.0 109.529 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.5 mt -60.5 -61.09 2.85 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.535 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -45.3 -32.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.4 m -82.21 -63.05 1.46 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.443 0.64 . . . . 0.0 110.359 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.955 -1.47 . . . . 0.0 109.477 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.224 0.535 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.563 ' HA ' HG23 ' A' ' 5' ' ' ILE . 42.4 m-85 -68.4 -31.31 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.0 110.148 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -44.42 -24.42 0.18 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.007 -1.058 . . . . 0.0 110.463 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 2' ' ' PHE . 1.5 m-70 -90.61 -11.44 39.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 0.0 110.871 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 2' ' ' PHE . 1.1 pp -79.36 -24.46 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 110.27 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -99.49 177.03 5.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.34 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 171.75 2.03 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HB2' ' CB ' ' A' ' 11' ' ' HIS . 46.4 Cg_endo -113.26 84.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.932 1.491 . . . . 0.0 110.662 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' H ' HG22 ' A' ' 9' ' ' ILE . 1.5 tp -69.97 -25.34 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 109.935 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 11' ' ' HIS . 2.0 t -80.03 -38.35 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.32 -0.862 . . . . 0.0 109.889 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -49.27 -100.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.347 -0.845 . . . . 0.0 110.526 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -49.39 -21.78 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.77 -1.207 . . . . 0.0 109.835 -179.658 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.8 -39.4 8.46 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.23 -32.42 33.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.452 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -48.24 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.242 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -45.33 -45.81 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.003 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 t-80 -57.94 -30.01 65.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.324 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.47 -32.15 54.18 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.588 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.9 mm? -64.92 -35.81 82.37 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 110.15 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.1 m -69.66 -30.69 45.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-O 121.919 0.866 . . . . 0.0 108.707 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.404 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 15.8 m -88.69 -46.04 9.34 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.41 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' O ' ' NH2' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.949 -1.473 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.245 0.545 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 4.3 m-85 -79.9 52.17 1.45 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.96 -41.02 6.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' ILE . 3.5 m-70 -52.14 -84.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.854 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.794 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -40.46 -34.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.461 -0.774 . . . . 0.0 110.752 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.557 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -71.68 -166.86 0.23 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.321 -0.862 . . . . 0.0 110.902 -179.33 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -170.24 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 0.0 110.25 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -117.91 160.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.587 0 O-C-N 123.899 1.473 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 9' ' ' ILE . 2.9 mp -80.41 58.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.899 . . . . 0.0 110.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.523 ' CG1' ' HA3' ' A' ' 13' ' ' GLY . 14.9 p -72.64 145.56 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.273 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.8 t-80 -66.3 -112.5 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.367 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -47.13 -22.89 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.559 -1.338 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.523 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -46.4 -37.99 8.8 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 mttm -80.58 -32.97 36.36 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' LEU . 4.3 m -52.8 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.413 -0.804 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.824 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.65 -25.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.325 -0.859 . . . . 0.0 109.376 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.556 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.3 t-80 -79.38 -34.27 42.12 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.4 -0.813 . . . . 0.0 109.115 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.29 -17.15 63.71 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.202 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' THR . 1.3 mp -90.85 -36.48 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.295 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.21 -34.49 69.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.208 -0.933 . . . . 0.0 108.558 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 97.6 m -88.9 -51.22 5.74 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.508 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.0 t-160 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.759 0.314 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -48.76 -22.0 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.672 -1.268 . . . . 0.0 109.74 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.91 -39.63 6.43 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 106.811 -2.516 . . . . 0.0 106.811 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 16.2 mmtt -81.69 -33.23 31.33 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.5 m -47.28 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.247 -0.908 . . . . 0.0 109.248 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.796 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 tp -44.44 -43.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.305 -0.872 . . . . 0.0 109.152 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.587 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.1 t60 -54.5 -32.48 58.08 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.345 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.93 -18.54 63.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.012 . . . . 0.0 110.378 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 15' ' ' THR . 5.0 mp -98.12 -24.28 15.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 110.661 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.796 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -74.93 -39.64 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 29.8 m -91.75 -39.17 11.95 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.154 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.545 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 2.4 t-160 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 121.178 0.513 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -52.16 -20.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.538 179.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -39.45 7.95 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 106.711 -2.555 . . . . 0.0 106.711 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -80.51 -33.54 36.38 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.267 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 8.1 m -54.25 -72.44 0.06 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -47.53 -25.09 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.435 -0.791 . . . . 0.0 109.646 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.539 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.2 t60 -78.38 -36.05 46.45 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.302 -0.873 . . . . 0.0 108.836 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -65.63 -16.92 64.19 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.585 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -83.11 -59.08 2.59 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.411 -0.806 . . . . 0.0 110.203 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.11 -39.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 CA-C-O 121.936 0.874 . . . . 0.0 108.702 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.527 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 79.4 m -83.15 -59.14 2.57 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.156 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 19' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.9 t-160 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -49.19 -21.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.037 -1.039 . . . . 0.0 110.198 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.12 -39.72 6.92 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.9 -33.29 34.31 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.48 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.608 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 20' ' ' VAL . 8.8 pt -45.25 -29.21 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.387 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t60 -71.03 -32.53 69.31 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.432 -0.792 . . . . 0.0 109.172 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.27 -11.45 59.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -91.14 -29.48 17.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -72.19 -33.13 45.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -88.52 -48.38 7.63 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.201 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.552 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.9 t-160 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.592 0.234 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.544 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -45.05 -23.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.784 -1.198 . . . . 0.0 109.838 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.53 -36.1 7.71 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 106.346 -2.702 . . . . 0.0 106.346 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.1 ttpt -81.59 -34.02 31.22 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.9 m -51.92 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.338 -0.851 . . . . 0.0 109.691 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.8 pt -44.83 -27.58 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.267 -0.895 . . . . 0.0 109.328 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.585 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -72.25 -33.54 67.58 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.397 -0.815 . . . . 0.0 109.101 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.29 -17.34 64.43 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.888 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -88.91 -57.46 2.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.43 -0.794 . . . . 0.0 109.807 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -42.71 -42.15 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.863 0.84 . . . . 0.0 108.989 179.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.573 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 14.2 m -85.07 -54.88 4.35 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.311 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' VAL . 4.8 t60 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 110.245 -0.279 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -46.7 -23.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 120.61 -1.306 . . . . 0.0 109.638 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.99 -38.89 6.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.09 -33.52 33.29 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.184 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.7 m -50.66 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.38 -0.825 . . . . 0.0 109.667 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.3 pt -45.22 -25.64 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.277 -0.89 . . . . 0.0 109.468 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.0 t-160 -75.49 -33.5 60.79 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.333 -0.854 . . . . 0.0 108.949 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.67 -17.04 61.19 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.821 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.38 -51.49 7.81 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.768 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -50.11 -40.65 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.5 m -78.9 -58.2 3.36 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.407 0.623 . . . . 0.0 110.387 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.517 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.1 t-160 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.833 0.349 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -48.11 -22.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 120.741 -1.224 . . . . 0.0 109.85 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.61 -38.77 5.61 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 106.809 -2.517 . . . . 0.0 106.809 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -80.45 -36.08 34.09 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.551 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 7.2 m -50.69 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.804 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.5 pt -44.21 -28.45 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.275 -0.89 . . . . 0.0 109.382 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.565 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -76.24 -34.62 59.19 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.387 -0.821 . . . . 0.0 109.055 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -70.24 -18.75 63.15 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.616 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' VAL . 8.8 mt -76.97 -59.32 2.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.75 -41.33 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.905 0.859 . . . . 0.0 108.847 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.571 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.59 -56.49 3.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.413 -179.021 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.544 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.095 0.474 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -52.26 -19.86 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.93 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.82 -40.7 9.54 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 106.831 -2.508 . . . . 0.0 106.831 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 mmtt -80.92 -31.88 34.87 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.4 m -52.28 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 pt -46.05 -29.11 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.318 -0.864 . . . . 0.0 109.066 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t60 -74.86 -31.47 61.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -71.09 -18.12 62.55 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.301 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -92.96 -33.14 14.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.1 -1.0 . . . . 0.0 110.497 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.67 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.13 -0.981 . . . . 0.0 108.363 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 4.0 m -88.28 -48.77 7.42 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.395 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.611 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.659 ' CD2' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 120.546 0.213 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.7 m -43.31 -23.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.633 -1.292 . . . . 0.0 110.89 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.21 -37.92 8.33 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 106.582 -2.607 . . . . 0.0 106.582 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.33 -32.52 33.0 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.9 m -50.78 -85.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.643 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.862 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -45.34 -25.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.853 . . . . 0.0 109.598 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.8 t-160 -72.54 -32.15 65.85 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.277 -0.89 . . . . 0.0 109.021 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.135 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 19' ' ' LEU . 5.6 mp -86.23 -28.39 23.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.23 -0.919 . . . . 0.0 110.216 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.862 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -71.11 -34.78 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.905 . . . . 0.0 108.561 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 1.4 p -90.18 -46.9 8.14 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.501 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.157 0.503 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -51.79 -19.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.853 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.63 -41.4 6.97 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 107.039 -2.425 . . . . 0.0 107.039 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 3.9 mttp -81.2 -31.9 33.75 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.673 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.6 m -51.44 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.104 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.673 ' N ' HG22 ' A' ' 15' ' ' THR . 1.2 tp -40.83 -35.08 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.51 -0.743 . . . . 0.0 109.61 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -60.91 -40.21 92.29 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.241 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.5 -29.76 70.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.123 -0.986 . . . . 0.0 109.565 -179.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -60.45 -59.92 4.64 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.656 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -45.31 -32.74 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -85.38 -61.35 1.78 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.421 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 2.9 t-160 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.539 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -47.81 -22.72 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.628 -1.295 . . . . 0.0 109.658 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -43.99 -38.81 4.81 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 106.812 -2.515 . . . . 0.0 106.812 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -81.35 -36.56 29.52 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.071 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.4 m -46.81 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.266 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.674 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.16 -46.32 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.161 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.1 t60 -54.96 -34.56 63.4 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.044 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -68.86 -20.09 64.26 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.26 -0.9 . . . . 0.0 110.292 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -87.82 -52.98 4.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 109.829 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -44.62 -41.61 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.561 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.1 m -86.25 -56.67 3.34 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.224 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.155 0.502 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -50.38 -20.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.98 -1.075 . . . . 0.0 109.959 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.51 -40.9 6.55 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -81.18 -32.73 33.45 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.1 m -49.74 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.892 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.45 -32.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t60 -65.64 -33.15 75.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.34 -0.85 . . . . 0.0 109.038 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.97 -20.12 56.5 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.537 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.7 mp -83.62 -26.49 29.91 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.486 -0.886 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -76.7 -30.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.4 m -89.07 -47.07 8.36 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.429 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.568 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.658 ' CD2' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.658 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.3 m -45.57 -23.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.429 -1.419 . . . . 0.0 110.475 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.25 -36.76 7.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 13.2 mmtt -80.58 -34.03 35.56 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.6 m -45.54 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 109.467 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.627 ' N ' HG22 ' A' ' 15' ' ' THR . 2.0 pp -45.02 -37.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.425 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.551 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.8 t-160 -65.25 -32.54 74.25 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.236 -0.915 . . . . 0.0 108.881 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.86 -25.36 61.07 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.347 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HA ' ' OXT' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -67.69 -58.93 3.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.995 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.587 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -44.42 -43.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 CA-C-O 121.654 0.74 . . . . 0.0 109.065 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.587 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 8.9 t -81.31 -45.72 15.78 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.414 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.573 ' N ' HG23 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.941 -1.477 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.5 t-160 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.558 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -51.45 -20.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 109.598 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.77 -40.36 6.62 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 107.006 -2.438 . . . . 0.0 107.006 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 17.8 mttp -81.11 -32.72 33.7 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 16' ' ' ILE . 4.8 m -52.3 -81.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 0.0 109.42 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.5 pt -45.83 -30.03 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.253 -0.905 . . . . 0.0 109.286 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.8 t-160 -68.03 -33.52 74.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -14.01 61.49 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.758 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 15' ' ' THR . 4.2 mp -94.3 -28.28 15.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.893 . . . . 0.0 110.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -73.73 -31.98 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.467 HG22 ' OXT' ' A' ' 22' ' ' GLY . 3.3 m -90.87 -47.42 7.62 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.194 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' OXT' HG22 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.695 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 120.784 0.326 . . . . 0.0 110.729 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -46.9 -21.79 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.554 -1.341 . . . . 0.0 110.376 -179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.97 -39.36 6.38 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.98 -2.448 . . . . 0.0 106.98 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.59 -33.82 35.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 5.3 m -52.09 -72.47 0.05 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 0.0 109.256 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.804 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -43.97 -37.83 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.377 -0.827 . . . . 0.0 109.283 179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.9 t-160 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 108.861 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.45 -24.69 57.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.255 -0.903 . . . . 0.0 109.297 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 19' ' ' LEU . 3.1 mt -68.56 -51.85 38.31 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.65 0.738 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.804 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -52.16 -34.6 18.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -84.89 -56.21 3.69 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.338 -179.025 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.574 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 3.7 t-160 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.935 0.398 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -48.64 -21.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.759 -1.213 . . . . 0.0 109.755 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.57 -38.8 5.56 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 106.85 -2.5 . . . . 0.0 106.85 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.3 mptp? -80.9 -35.71 32.13 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.548 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -49.82 -79.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 0.0 109.634 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.732 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.13 -31.72 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.26 -0.9 . . . . 0.0 109.53 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t60 -70.82 -34.03 71.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 108.995 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.628 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -24.74 43.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.628 HD22 ' HD2' ' A' ' 18' ' ' ARG . 1.9 mm? -68.8 -34.94 76.36 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.395 -0.816 . . . . 0.0 109.758 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.3 m -70.48 -30.35 42.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -87.22 -47.97 8.42 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.217 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.586 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.0 t-160 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.538 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -50.69 -21.41 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.672 -1.268 . . . . 0.0 109.333 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -38.02 7.06 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 106.644 -2.582 . . . . 0.0 106.644 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 2.6 mptp? -81.37 -34.03 31.98 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.65 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.416 -0.803 . . . . 0.0 109.507 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 15' ' ' THR . 7.2 pt -45.56 -28.27 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.218 -0.927 . . . . 0.0 109.363 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.568 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-160 -71.65 -32.9 68.42 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.363 -0.835 . . . . 0.0 109.004 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.33 -14.99 63.23 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.533 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 19' ' ' LEU . 2.6 mt -85.92 -54.24 4.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.399 -0.813 . . . . 0.0 109.936 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -47.51 -41.97 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.576 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 16.3 m -81.05 -55.31 4.86 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 119.896 -0.721 . . . . 0.0 110.369 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.2 m -47.69 -21.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 120.584 -1.323 . . . . 0.0 109.946 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.69 -39.03 5.83 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 106.93 -2.468 . . . . 0.0 106.93 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -81.33 -33.48 32.46 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.235 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 16' ' ' ILE . 5.2 m -52.27 -81.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.394 -0.816 . . . . 0.0 109.552 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -45.61 -25.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.346 -0.846 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.553 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.7 t-160 -74.48 -34.14 63.03 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.376 -0.827 . . . . 0.0 108.803 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.1 tmt_? -66.92 -19.69 65.77 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.414 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.95 -57.73 3.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.451 -0.78 . . . . 0.0 110.072 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.55 -41.5 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.851 0.834 . . . . 0.0 108.856 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.56 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.94 -56.5 3.78 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.348 -179.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.031 -1.427 . . . . 0.0 109.572 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.037 0.446 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -52.0 -20.1 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.98 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.28 -41.02 8.15 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 106.963 -2.455 . . . . 0.0 106.963 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.86 -31.81 35.21 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 6.4 m -53.37 -81.19 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.235 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 19' ' ' LEU . 1.2 tp -40.66 -34.75 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.536 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -63.64 -42.14 98.18 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.205 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.44 -30.21 70.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.032 -1.042 . . . . 0.0 109.529 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.5 mt -60.5 -61.09 2.85 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.535 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -45.3 -32.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.4 m -82.21 -63.05 1.46 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.443 0.64 . . . . 0.0 110.359 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.955 -1.47 . . . . 0.0 109.477 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 5.2 t-160 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 120.749 0.309 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -49.39 -21.78 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.77 -1.207 . . . . 0.0 109.835 -179.658 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.8 -39.4 8.46 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.23 -32.42 33.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.452 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -48.24 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.242 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -45.33 -45.81 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.003 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.1 t60 -57.94 -30.01 65.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.324 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.47 -32.15 54.18 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.588 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.9 mm? -64.92 -35.81 82.37 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 110.15 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.1 m -69.66 -30.69 45.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-O 121.919 0.866 . . . . 0.0 108.707 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.404 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 15.8 m -88.69 -46.04 9.34 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.41 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.507 ' O ' ' NH2' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.949 -1.473 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.3 t-160 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -47.13 -22.89 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.559 -1.338 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.4 -37.99 8.8 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 mttm -80.58 -32.97 36.36 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' LEU . 4.3 m -52.8 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.413 -0.804 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.824 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.65 -25.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.325 -0.859 . . . . 0.0 109.376 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.556 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -79.38 -34.27 42.12 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.4 -0.813 . . . . 0.0 109.115 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.29 -17.15 63.71 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.202 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' THR . 1.3 mp -90.85 -36.48 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.295 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.21 -34.49 69.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.208 -0.933 . . . . 0.0 108.558 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 97.6 m -88.9 -51.22 5.74 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.508 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.286 0.565 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -76.83 52.57 0.85 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.194 -0.941 . . . . 0.0 110.258 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -115.62 -11.58 11.69 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.202 -0.936 . . . . 0.0 110.123 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -96.5 -27.4 14.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.19 -0.944 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.471 HD12 ' HD2' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -75.58 -23.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 110.317 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HD2' HD12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -127.64 168.36 15.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.268 -0.895 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 9.9 ptt-85 -54.35 -173.67 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 49.7 Cg_endo -76.97 74.29 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 O-C-N 123.777 1.409 . . . . 0.0 110.438 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.8 pt -81.1 38.35 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -0.892 . . . . 0.0 110.739 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 10' ' ' VAL . 10.7 p -80.31 5.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 120.951 -1.093 . . . . 0.0 110.431 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.0 t-160 -53.89 -100.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 110.296 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -48.76 -22.0 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.672 -1.268 . . . . 0.0 109.74 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.91 -39.63 6.43 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 106.811 -2.516 . . . . 0.0 106.811 178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 16.2 mmtt -81.69 -33.23 31.33 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.625 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.5 m -47.28 -80.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.247 -0.908 . . . . 0.0 109.248 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.796 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 tp -44.44 -43.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.305 -0.872 . . . . 0.0 109.152 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.587 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.1 t60 -54.5 -32.48 58.08 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 119.632 -0.827 . . . . 0.0 109.345 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -69.93 -18.54 63.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.08 -1.012 . . . . 0.0 110.378 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 15' ' ' THR . 5.0 mp -98.12 -24.28 15.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.131 -0.981 . . . . 0.0 110.661 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.796 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -74.93 -39.64 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 29.8 m -91.75 -39.17 11.95 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.154 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.545 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.175 0.512 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' O ' HG13 ' A' ' 5' ' ' ILE . 7.8 m-85 -75.78 -7.05 53.48 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.4 m-70 -89.67 -18.1 27.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 110.031 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.03 12.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 2' ' ' PHE . 0.7 OUTLIER -116.61 -47.91 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.032 -1.042 . . . . 0.0 111.067 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.74 62.59 1.63 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 120.799 -1.188 . . . . 0.0 112.098 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.812 ' O ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -156.71 -76.24 0.01 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.994 -1.066 . . . . 0.0 110.759 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' CD ' ' HB3' ' A' ' 7' ' ' ARG . 46.2 Cg_endo -49.04 -21.95 4.53 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 O-C-N 123.677 1.356 . . . . 0.0 110.497 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 10' ' ' VAL . 9.6 tt -48.48 -32.42 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.293 -0.879 . . . . 0.0 110.72 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.812 HG12 ' O ' ' A' ' 7' ' ' ARG . 7.7 p -80.47 148.99 5.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.129 -0.982 . . . . 0.0 111.305 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 2.4 t-160 -47.87 -68.67 0.17 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.753 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -52.16 -20.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.538 179.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.711 ' H ' HG13 ' A' ' 10' ' ' VAL . . . -45.59 -39.45 7.95 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 106.711 -2.555 . . . . 0.0 106.711 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HE3' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -80.51 -33.54 36.38 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 177.267 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 8.1 m -54.25 -72.44 0.06 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.465 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -47.53 -25.09 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.435 -0.791 . . . . 0.0 109.646 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.539 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.2 t60 -78.38 -36.05 46.45 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.302 -0.873 . . . . 0.0 108.836 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -65.63 -16.92 64.19 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.585 179.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 0.2 OUTLIER -83.11 -59.08 2.59 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.411 -0.806 . . . . 0.0 110.203 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.11 -39.15 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 CA-C-O 121.936 0.874 . . . . 0.0 108.702 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.527 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 79.4 m -83.15 -59.14 2.57 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 120.031 -0.668 . . . . 0.0 110.156 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 19' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.293 0.568 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.697 ' CD1' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -80.66 12.39 3.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.247 -0.908 . . . . 0.0 110.647 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -100.62 -24.42 14.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.03 -1.044 . . . . 0.0 110.535 -179.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -92.83 -23.75 18.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 2' ' ' PHE . 1.1 pt -81.96 -25.19 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.264 -0.898 . . . . 0.0 110.589 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.23 -153.94 0.08 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 0.0 111.119 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.614 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -50.76 -81.88 0.01 OUTLIER Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.606 -0.684 . . . . 0.0 111.118 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.614 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 46.4 Cg_endo -39.8 94.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 O-C-N 124.027 1.54 . . . . 0.0 110.824 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 7' ' ' ARG . 3.7 mt -80.41 -130.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.213 -0.929 . . . . 0.0 109.527 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.736 HG13 ' HA3' ' A' ' 13' ' ' GLY . 2.7 p -70.55 155.95 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.867 -1.146 . . . . 0.0 110.462 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.9 t-160 -51.91 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.439 -0.788 . . . . 0.0 110.877 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -49.19 -21.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.037 -1.039 . . . . 0.0 110.198 -179.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.736 ' HA3' HG13 ' A' ' 10' ' ' VAL . . . -45.12 -39.72 6.92 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.9 -33.29 34.31 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 177.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.48 -82.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.608 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 20' ' ' VAL . 8.8 pt -45.25 -29.21 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.387 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.59 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t60 -71.03 -32.53 69.31 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.432 -0.792 . . . . 0.0 109.172 179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.65 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.27 -11.45 59.93 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.288 -0.883 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -91.14 -29.48 17.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.428 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -72.19 -33.13 45.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -88.52 -48.38 7.63 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 119.866 -0.734 . . . . 0.0 110.201 -178.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.989 -1.451 . . . . 0.0 109.552 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.202 0.525 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.83 ' HA ' HD11 ' A' ' 5' ' ' ILE . 7.9 m-85 -78.71 52.55 1.22 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 110.2 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.586 ' O ' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -124.17 8.72 8.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 110.424 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' H ' HD13 ' A' ' 5' ' ' ILE . 2.0 m-70 -120.29 12.35 11.72 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.349 -0.844 . . . . 0.0 109.701 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.83 HD11 ' HA ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -121.52 -42.49 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.515 -0.74 . . . . 0.0 110.436 -179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 7' ' ' ARG . 3.5 p90 -29.44 153.48 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.205 0.526 . . . . 0.0 112.104 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HG3' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER 27.44 41.64 0.05 OUTLIER Pre-proline 0 N--CA 1.504 2.267 0 O-C-N 122.081 -0.387 . . . . 0.0 111.661 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PHE . 51.6 Cg_endo -54.71 -160.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.299 -2.039 0 O-C-N 124.099 1.578 . . . . 0.0 110.363 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 9' ' ' ILE . 10.0 tt -70.05 55.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.066 -1.021 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' HA3' ' A' ' 13' ' ' GLY . 9.8 p -80.53 134.4 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.092 -1.005 . . . . 0.0 110.22 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' VAL . 2.9 t-160 -65.6 -124.24 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.064 -1.023 . . . . 0.0 110.535 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -45.05 -23.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.784 -1.198 . . . . 0.0 109.838 -179.442 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.533 ' HA3' ' CG2' ' A' ' 10' ' ' VAL . . . -46.53 -36.1 7.71 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 106.346 -2.702 . . . . 0.0 106.346 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.1 ttpt -81.59 -34.02 31.22 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.9 m -51.92 -82.65 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.338 -0.851 . . . . 0.0 109.691 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.8 pt -44.83 -27.58 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.267 -0.895 . . . . 0.0 109.328 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.585 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -72.25 -33.54 67.58 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.397 -0.815 . . . . 0.0 109.101 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -65.29 -17.34 64.43 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.888 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -88.91 -57.46 2.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.43 -0.794 . . . . 0.0 109.807 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -42.71 -42.15 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 CA-C-O 121.863 0.84 . . . . 0.0 108.989 179.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.573 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 14.2 m -85.07 -54.88 4.35 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.311 -178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.397 0.618 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.992 ' CG ' HD11 ' A' ' 5' ' ' ILE . 1.5 m-85 -49.07 -89.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.0 110.087 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.595 ' CG ' ' HG3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER 70.93 -55.0 0.65 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.57 -25.37 67.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.97 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.992 HD11 ' CG ' ' A' ' 2' ' ' PHE . 1.2 pt -106.28 -26.47 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.0 110.522 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.529 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -78.96 -148.13 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.126 -0.984 . . . . 0.0 111.154 -178.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.524 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -136.37 52.96 6.87 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.024 -1.047 . . . . 0.0 111.739 -178.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG3' ' CG ' ' A' ' 3' ' ' HIS . 50.6 Cg_endo -87.76 143.36 6.07 Favored 'Trans proline' 0 C--N 1.302 -1.871 0 O-C-N 123.559 1.294 . . . . 0.0 110.074 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 9' ' ' ILE . 33.9 mt -74.36 80.15 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.24 -0.913 . . . . 0.0 110.09 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 13' ' ' GLY . 42.4 t -43.92 154.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.276 -0.89 . . . . 0.0 110.378 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' VAL . 4.8 t60 -65.83 -114.37 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.317 -0.864 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.55 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -46.7 -23.12 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 120.61 -1.306 . . . . 0.0 109.638 -179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.99 -38.89 6.16 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.513 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.09 -33.52 33.29 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.184 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.7 m -50.66 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.38 -0.825 . . . . 0.0 109.667 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.3 pt -45.22 -25.64 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.277 -0.89 . . . . 0.0 109.468 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 2.0 t-160 -75.49 -33.5 60.79 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.333 -0.854 . . . . 0.0 108.949 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.67 -17.04 61.19 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.821 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.38 -51.49 7.81 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.768 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -50.11 -40.65 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.27 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.5 m -78.9 -58.2 3.36 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.407 0.623 . . . . 0.0 110.387 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.517 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.899 ' HA ' HD11 ' A' ' 5' ' ' ILE . 9.2 m-85 -80.02 54.14 1.85 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.522 ' O ' ' CB ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -107.05 6.1 28.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.272 -0.893 . . . . 0.0 110.197 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' C ' HD13 ' A' ' 5' ' ' ILE . 29.2 m170 -114.03 7.64 16.84 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.233 -0.917 . . . . 0.0 109.625 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.899 HD11 ' HA ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -119.96 -48.05 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.272 -0.892 . . . . 0.0 110.597 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -105.84 -24.74 12.4 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.31 -0.869 . . . . 0.0 110.33 -179.093 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -50.61 -72.85 0.14 Allowed Pre-proline 0 C--N 1.3 -1.571 0 O-C-N 121.686 -0.634 . . . . 0.0 111.457 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 45.2 Cg_endo -41.8 154.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 O-C-N 123.819 1.431 . . . . 0.0 110.593 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.5 mm -59.4 80.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.355 -0.841 . . . . 0.0 110.376 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.505 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 20.4 m -69.61 -24.23 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.336 -0.853 . . . . 0.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.1 t-160 -58.59 -99.8 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.127 -0.983 . . . . 0.0 110.432 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.551 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -48.11 -22.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 120.741 -1.224 . . . . 0.0 109.85 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.61 -38.77 5.61 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 106.809 -2.517 . . . . 0.0 106.809 178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' ' O ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -80.45 -36.08 34.09 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 177.242 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.551 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 7.2 m -50.69 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.864 -0.735 . . . . 0.0 109.804 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.565 HG13 ' N ' ' A' ' 17' ' ' HIS . 7.5 pt -44.21 -28.45 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.275 -0.89 . . . . 0.0 109.382 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.565 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.8 t-160 -76.24 -34.62 59.19 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.387 -0.821 . . . . 0.0 109.055 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -70.24 -18.75 63.15 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 119.41 -0.916 . . . . 0.0 109.616 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' VAL . 8.8 mt -76.97 -59.32 2.83 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.393 -0.817 . . . . 0.0 109.974 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -42.75 -41.33 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.905 0.859 . . . . 0.0 108.847 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.571 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.59 -56.49 3.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.884 -0.727 . . . . 0.0 110.413 -179.021 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.544 -179.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.288 0.566 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -78.78 -12.51 60.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.095 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.51 -4.12 49.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.208 -0.932 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -103.32 -30.9 10.33 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.287 -0.883 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.3 pp -75.97 -25.11 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.312 -0.868 . . . . 0.0 110.458 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -141.54 -154.04 0.5 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.211 -0.931 . . . . 0.0 110.565 -179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.555 ' CB ' ' HD2' ' A' ' 8' ' ' PRO . 5.1 ptp85 -139.63 -178.92 0.91 Allowed Pre-proline 0 N--CA 1.492 1.675 0 O-C-N 121.395 -0.816 . . . . 0.0 109.678 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.555 ' HD2' ' CB ' ' A' ' 7' ' ' ARG . 48.1 Cg_endo -57.21 98.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.445 1.234 . . . . 0.0 110.076 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 7' ' ' ARG . 1.1 pp -79.88 46.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.373 -0.83 . . . . 0.0 110.892 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.41 -15.94 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.139 -0.975 . . . . 0.0 109.386 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.01 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.563 -0.711 . . . . 0.0 110.322 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -52.26 -19.86 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.93 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.82 -40.7 9.54 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 106.831 -2.508 . . . . 0.0 106.831 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 16.6 mmtt -80.92 -31.88 34.87 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.559 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.4 m -52.28 -76.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.0 109.487 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 pt -46.05 -29.11 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.318 -0.864 . . . . 0.0 109.066 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.61 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t60 -74.86 -31.47 61.63 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -71.09 -18.12 62.55 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.301 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -92.96 -33.14 14.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.1 -1.0 . . . . 0.0 110.497 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.67 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.13 -0.981 . . . . 0.0 108.363 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 4.0 m -88.28 -48.77 7.42 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.395 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.611 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.221 0.534 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -79.67 49.96 1.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 0.0 110.228 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -134.22 -34.91 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 0.0 110.418 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -88.13 -26.95 22.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.222 -0.924 . . . . 0.0 110.207 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.4 pp -78.59 -25.57 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.372 -0.83 . . . . 0.0 110.34 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.508 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -143.72 -153.54 0.48 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.312 -0.868 . . . . 0.0 110.487 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' HD2' ' HA ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -143.77 -167.33 0.15 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.311 -0.868 . . . . 0.0 110.07 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 45.9 Cg_endo -112.07 -57.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 123.973 1.512 . . . . 0.0 110.556 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.98 77.39 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.252 -0.905 . . . . 0.0 110.295 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG13 ' HA3' ' A' ' 13' ' ' GLY . 2.3 p -55.41 150.97 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.168 -0.957 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.659 ' CD2' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -62.75 -109.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 111.17 -179.308 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.7 m -43.31 -23.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.633 -1.292 . . . . 0.0 110.89 -178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.54 ' HA3' HG13 ' A' ' 10' ' ' VAL . . . -46.21 -37.92 8.33 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 106.582 -2.607 . . . . 0.0 106.582 178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -81.33 -32.52 33.0 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.9 m -50.78 -85.73 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.338 -0.851 . . . . 0.0 109.643 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.862 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -45.34 -25.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.853 . . . . 0.0 109.598 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.8 t-160 -72.54 -32.15 65.85 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.277 -0.89 . . . . 0.0 109.021 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.28 -18.28 57.68 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.135 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 19' ' ' LEU . 5.6 mp -86.23 -28.39 23.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.23 -0.919 . . . . 0.0 110.216 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.862 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -71.11 -34.78 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.905 . . . . 0.0 108.561 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.47 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 1.4 p -90.18 -46.9 8.14 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.255 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.501 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.221 0.534 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.437 ' O ' ' CG1' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -64.41 -14.16 55.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' O ' ' O ' ' A' ' 7' ' ' ARG . 4.5 m80 -79.56 -21.54 44.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.263 -0.898 . . . . 0.0 110.197 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -89.43 -22.12 22.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.1 pp -68.75 -23.78 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 110.206 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -117.06 -72.42 0.69 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.333 -0.855 . . . . 0.0 110.26 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH1' ' HA ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -159.86 168.32 12.33 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.273 -0.892 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -105.39 122.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 124.101 1.579 . . . . 0.0 110.332 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.477 ' HA ' ' NH1' ' A' ' 7' ' ' ARG . 1.1 pt -72.1 57.86 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.283 -0.886 . . . . 0.0 110.208 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 11' ' ' HIS . 11.5 p -64.0 -40.31 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.211 -0.931 . . . . 0.0 110.226 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.545 ' N ' HG13 ' A' ' 10' ' ' VAL . 4.1 t60 -43.51 -77.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -51.79 -19.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.853 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.63 -41.4 6.97 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 107.039 -2.425 . . . . 0.0 107.039 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 3.9 mttp -81.2 -31.9 33.75 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.673 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.6 m -51.44 -84.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.104 179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.673 ' N ' HG22 ' A' ' 15' ' ' THR . 1.2 tp -40.83 -35.08 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.51 -0.743 . . . . 0.0 109.61 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.681 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -60.91 -40.21 92.29 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.241 179.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.5 -29.76 70.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.123 -0.986 . . . . 0.0 109.565 -179.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.524 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -60.45 -59.92 4.64 Favored 'General case' 0 C--N 1.298 -1.655 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.656 179.455 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.0 OUTLIER -45.31 -32.74 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -85.38 -61.35 1.78 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.421 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.515 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.317 0.58 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.469 ' HD1' HD11 ' A' ' 5' ' ' ILE . 3.8 t80 -58.51 -23.79 58.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.206 -0.934 . . . . 0.0 110.176 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -85.39 -6.47 59.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.31 -0.869 . . . . 0.0 110.089 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -92.81 -29.78 15.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.273 -0.892 . . . . 0.0 110.386 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' CG1' ' N ' ' A' ' 6' ' ' PHE . 9.1 pt -83.33 -43.98 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.935 . . . . 0.0 110.382 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.555 ' N ' ' CG1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -118.56 175.29 5.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.135 -0.978 . . . . 0.0 110.483 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -89.2 173.42 6.04 Favored Pre-proline 0 N--CA 1.492 1.644 0 O-C-N 121.372 -0.83 . . . . 0.0 110.04 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 48.7 Cg_endo -75.29 119.62 5.64 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 O-C-N 123.734 1.386 . . . . 0.0 110.286 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 13' ' ' GLY . 1.5 mp -71.96 -58.21 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.314 -0.867 . . . . 0.0 110.549 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 11' ' ' HIS . 9.2 p -40.7 -40.55 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.356 -0.84 . . . . 0.0 110.497 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' N ' HG13 ' A' ' 10' ' ' VAL . 2.9 t-160 -63.07 -103.91 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -47.81 -22.72 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 120.628 -1.295 . . . . 0.0 109.658 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 9' ' ' ILE . . . -43.99 -38.81 4.81 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 106.812 -2.515 . . . . 0.0 106.812 178.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER -81.35 -36.56 29.52 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.071 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 3.4 m -46.81 -76.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.629 -0.829 . . . . 0.0 109.266 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.674 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.16 -46.32 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.161 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 16' ' ' ILE . 2.1 t60 -54.96 -34.56 63.4 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.044 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -68.86 -20.09 64.26 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.26 -0.9 . . . . 0.0 110.292 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -87.82 -52.98 4.99 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 109.829 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -44.62 -41.61 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.561 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.1 m -86.25 -56.67 3.34 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.224 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.227 0.537 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.897 ' HA ' HD11 ' A' ' 5' ' ' ILE . 9.7 m-85 -79.9 53.64 1.71 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.085 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 40.9 t60 -112.42 -5.58 14.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.42 -0.8 . . . . 0.0 110.087 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.415 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -102.6 6.95 40.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.897 HD11 ' HA ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -114.06 -49.68 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 110.111 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD2' ' N ' ' A' ' 7' ' ' ARG . 3.6 p90 -96.33 -162.19 0.93 Allowed 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.016 -1.053 . . . . 0.0 109.98 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 3.1 ttt180 56.96 -152.66 0.01 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.08 -1.013 . . . . 0.0 109.725 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.583 ' HD2' ' CG ' ' A' ' 7' ' ' ARG . 44.0 Cg_endo -93.89 87.28 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 O-C-N 123.613 1.323 . . . . 0.0 110.406 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' ILE . 6.8 tt -59.42 78.89 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.452 -0.78 . . . . 0.0 110.271 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.4 p -70.4 -5.14 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.912 . . . . 0.0 110.143 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 -44.47 -81.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -50.38 -20.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.98 -1.075 . . . . 0.0 109.959 -179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.51 -40.9 6.55 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 107.095 -2.402 . . . . 0.0 107.095 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.7 OUTLIER -81.18 -32.73 33.45 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.1 m -49.74 -83.12 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 109.514 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.892 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -44.45 -32.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.659 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t60 -65.64 -33.15 75.22 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.34 -0.85 . . . . 0.0 109.038 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.97 -20.12 56.5 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.561 -0.856 . . . . 0.0 109.537 179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.7 mp -83.62 -26.49 29.91 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 119.486 -0.886 . . . . 0.0 109.992 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -76.7 -30.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.422 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.4 m -89.07 -47.07 8.36 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.429 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.011 -1.438 . . . . 0.0 109.568 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.187 0.518 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -74.2 0.54 13.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 110.288 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -60.17 -13.35 11.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.129 -0.982 . . . . 0.0 110.065 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 -35.98 9.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.288 -0.882 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.5 pp -91.47 -26.24 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 110.659 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -134.54 -150.61 0.4 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.099 -1.001 . . . . 0.0 110.234 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -86.56 -150.49 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.356 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.573 ' HD2' ' CG ' ' A' ' 7' ' ' ARG . 50.5 Cg_endo -115.22 36.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.866 1.456 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 2.5 mp -46.66 -26.15 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.023 -1.048 . . . . 0.0 109.816 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' A' ' 11' ' ' HIS . 6.4 m -79.98 -3.08 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.495 -0.753 . . . . 0.0 110.41 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.658 ' CD2' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -39.31 -97.1 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.565 -0.709 . . . . 0.0 111.42 -178.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.3 m -45.57 -23.34 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.429 -1.419 . . . . 0.0 110.475 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -46.25 -36.76 7.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 13.2 mmtt -80.58 -34.03 35.56 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 16' ' ' ILE . 2.6 m -45.54 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 109.467 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.627 ' N ' HG22 ' A' ' 15' ' ' THR . 2.0 pp -45.02 -37.08 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.425 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.8 t-160 -65.25 -32.54 74.25 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.236 -0.915 . . . . 0.0 108.881 178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -72.86 -25.36 61.07 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.347 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HA ' ' OXT' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -67.69 -58.93 3.81 Favored 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.995 179.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.587 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -44.42 -43.78 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 CA-C-O 121.654 0.74 . . . . 0.0 109.065 179.756 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.587 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 8.9 t -81.31 -45.72 15.78 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.414 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.573 ' N ' HG23 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.941 -1.477 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.287 0.565 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.579 ' CG ' ' O ' ' A' ' 2' ' ' PHE . 4.8 t80 -80.15 51.0 1.31 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.08 13.95 3.32 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.253 -0.904 . . . . 0.0 110.162 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -114.79 -32.9 5.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.234 -0.916 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.536 HG13 ' N ' ' A' ' 6' ' ' PHE . 1.3 pp -85.42 -24.94 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.236 -0.915 . . . . 0.0 110.424 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -102.99 158.17 16.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.188 -0.945 . . . . 0.0 110.354 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.8 OUTLIER 39.0 -161.97 0.0 OUTLIER Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.636 -0.665 . . . . 0.0 110.699 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 50.7 Cg_endo -118.87 -158.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.643 0 O-C-N 123.877 1.461 . . . . 0.0 110.096 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.788 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -78.53 50.17 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.139 -0.975 . . . . 0.0 109.962 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 ' CG1' ' HD3' ' A' ' 7' ' ' ARG . 9.6 p -79.54 -2.33 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.965 -1.084 . . . . 0.0 110.137 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' VAL . 2.5 t-160 -40.88 -84.42 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 110.24 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.558 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.7 OUTLIER -51.45 -20.45 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 120.862 -1.149 . . . . 0.0 109.598 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.77 -40.36 6.62 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 107.006 -2.438 . . . . 0.0 107.006 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 17.8 mttp -81.11 -32.72 33.7 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 16' ' ' ILE . 4.8 m -52.3 -81.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.885 . . . . 0.0 109.42 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.865 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.5 pt -45.83 -30.03 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.253 -0.905 . . . . 0.0 109.286 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.578 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.8 t-160 -68.03 -33.52 74.75 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -72.65 -14.01 61.49 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.758 179.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 15' ' ' THR . 4.2 mp -94.3 -28.28 15.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.272 -0.893 . . . . 0.0 110.119 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.865 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -73.73 -31.98 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.467 HG22 ' OXT' ' A' ' 22' ' ' GLY . 3.3 m -90.87 -47.42 7.62 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.194 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' OXT' HG22 ' A' ' 21' ' ' THR . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.0 -1.444 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.223 0.535 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.518 ' HB3' ' CG1' ' A' ' 5' ' ' ILE . 65.5 m-85 -77.81 52.6 1.05 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 110.057 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -80.48 -0.61 38.12 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.282 -0.886 . . . . 0.0 110.444 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -102.51 -28.26 12.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.272 -0.893 . . . . 0.0 110.215 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' CG1' ' HB3' ' A' ' 2' ' ' PHE . 1.1 pt -97.04 -23.42 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 110.344 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -118.09 -167.85 1.42 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -113.01 -169.48 0.15 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.326 -0.859 . . . . 0.0 110.176 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 7' ' ' ARG . 47.8 Cg_endo -111.89 141.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 124.019 1.537 . . . . 0.0 110.295 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pt -78.65 65.32 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.281 -0.887 . . . . 0.0 110.263 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 11' ' ' HIS . 26.2 t -80.15 -65.4 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.279 -0.888 . . . . 0.0 110.227 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.695 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -41.05 -92.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.324 -0.86 . . . . 0.0 110.729 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.0 OUTLIER -46.9 -21.79 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.554 -1.341 . . . . 0.0 110.376 -179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.97 -39.36 6.38 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 106.98 -2.448 . . . . 0.0 106.98 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.59 -33.82 35.7 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 5.3 m -52.09 -72.47 0.05 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.375 -0.828 . . . . 0.0 109.256 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.804 ' O ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -43.97 -37.83 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.377 -0.827 . . . . 0.0 109.283 179.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.598 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.9 t-160 -66.54 -37.96 86.11 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 108.861 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -75.45 -24.69 57.04 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.255 -0.903 . . . . 0.0 109.297 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 19' ' ' LEU . 3.1 mt -68.56 -51.85 38.31 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.65 0.738 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.804 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -52.16 -34.6 18.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.288 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -84.89 -56.21 3.69 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.338 -179.025 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.022 -1.432 . . . . 0.0 109.574 -179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.264 0.554 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.503 ' HA ' HG12 ' A' ' 5' ' ' ILE . 6.0 t80 -80.03 -14.59 58.43 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.59 1.91 50.09 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.222 -0.924 . . . . 0.0 110.219 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.54 -23.99 11.21 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.198 -0.939 . . . . 0.0 110.168 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 2' ' ' PHE . 1.1 pt -76.69 -25.61 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.275 -0.891 . . . . 0.0 110.403 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -157.97 0.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.232 -0.917 . . . . 0.0 110.313 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.428 ' NH1' ' HB ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -91.62 153.49 43.98 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.272 -0.892 . . . . 0.0 110.131 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -109.67 -14.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 O-C-N 124.011 1.532 . . . . 0.0 110.341 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.15 -20.52 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.234 -0.916 . . . . 0.0 110.206 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' HB ' ' NH1' ' A' ' 7' ' ' ARG . 10.5 p -66.31 -27.2 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.202 -0.936 . . . . 0.0 110.372 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 3.7 t-160 -53.16 -95.64 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.957 . . . . 0.0 110.104 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -48.64 -21.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 120.759 -1.213 . . . . 0.0 109.755 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.57 -38.8 5.56 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 106.85 -2.5 . . . . 0.0 106.85 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 2.3 mptp? -80.9 -35.71 32.13 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.548 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -49.82 -79.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.408 -0.808 . . . . 0.0 109.634 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.732 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.13 -31.72 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.26 -0.9 . . . . 0.0 109.53 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.0 t60 -70.82 -34.03 71.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.859 . . . . 0.0 108.995 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.628 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -24.74 43.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 179.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.628 HD22 ' HD2' ' A' ' 18' ' ' ARG . 1.9 mm? -68.8 -34.94 76.36 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.395 -0.816 . . . . 0.0 109.758 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.3 m -70.48 -30.35 42.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -87.22 -47.97 8.42 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.217 -178.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.973 -1.46 . . . . 0.0 109.586 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.229 0.538 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.501 ' HA ' HG12 ' A' ' 5' ' ' ILE . 9.8 m-85 -78.74 4.33 14.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -92.7 -23.88 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.197 -0.94 . . . . 0.0 110.212 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.32 -24.35 19.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.214 -0.928 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 6' ' ' PHE . 2.6 pp -66.52 -32.96 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -116.82 -149.53 0.44 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 110.202 -179.808 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.544 ' O ' ' CD ' ' A' ' 7' ' ' ARG . 2.4 ppt_? -165.71 50.82 0.23 Allowed Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.923 -1.111 . . . . 0.0 111.564 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 6' ' ' PHE . 46.3 Cg_endo -79.07 156.83 26.59 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 123.465 1.245 . . . . 0.0 110.252 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' HIS . 8.6 tp -80.57 9.28 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.25 -0.906 . . . . 0.0 110.215 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 11' ' ' HIS . 9.9 p -40.52 -27.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.321 -0.862 . . . . 0.0 110.664 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' O ' ' A' ' 10' ' ' VAL . 3.0 t-160 -51.25 -100.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.124 -0.985 . . . . 0.0 109.923 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.8 OUTLIER -50.69 -21.41 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.672 -1.268 . . . . 0.0 109.333 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.59 -38.02 7.06 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 106.644 -2.582 . . . . 0.0 106.644 178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 2.6 mptp? -81.37 -34.03 31.98 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' N ' ' A' ' 16' ' ' ILE . 3.3 m -50.65 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.416 -0.803 . . . . 0.0 109.507 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 15' ' ' THR . 7.2 pt -45.56 -28.27 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 O-C-N 121.218 -0.927 . . . . 0.0 109.363 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.568 ' N ' HG13 ' A' ' 16' ' ' ILE . 2.0 t-160 -71.65 -32.9 68.42 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.363 -0.835 . . . . 0.0 109.004 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' O ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.33 -14.99 63.23 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.533 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 19' ' ' LEU . 2.6 mt -85.92 -54.24 4.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.399 -0.813 . . . . 0.0 109.936 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' CG2' ' N ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -47.51 -41.97 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.576 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 16.3 m -81.05 -55.31 4.86 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 119.896 -0.721 . . . . 0.0 110.369 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.332 0.587 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 3.06 13.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.311 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -99.71 -12.18 20.22 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.929 . . . . 0.0 110.319 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.92 -35.98 17.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.282 -0.886 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.63 HD12 ' N ' ' A' ' 6' ' ' PHE . 2.6 pp -63.8 -35.3 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 110.088 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.63 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -113.42 -158.23 0.65 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 110.05 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.603 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -141.67 68.75 25.01 Favored Pre-proline 0 N--CA 1.493 1.7 0 O-C-N 121.035 -1.041 . . . . 0.0 111.327 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 7' ' ' ARG . 43.8 Cg_endo -114.79 77.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 O-C-N 123.673 1.354 . . . . 0.0 110.322 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.773 HG22 ' O ' ' A' ' 9' ' ' ILE . 3.2 mp -66.21 64.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.176 -0.953 . . . . 0.0 110.092 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 11' ' ' HIS . 11.2 p -80.07 -39.14 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.872 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -49.53 -99.66 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.194 -0.941 . . . . 0.0 110.258 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.628 HG22 ' CD2' ' A' ' 11' ' ' HIS . 1.2 m -47.69 -21.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 120.584 -1.323 . . . . 0.0 109.946 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -44.69 -39.03 5.83 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 106.93 -2.468 . . . . 0.0 106.93 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -81.33 -33.48 32.46 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.235 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 16' ' ' ILE . 5.2 m -52.27 -81.23 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.394 -0.816 . . . . 0.0 109.552 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.2 pp -45.61 -25.56 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.346 -0.846 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.553 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 1.7 t-160 -74.48 -34.14 63.03 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.376 -0.827 . . . . 0.0 108.803 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' THR . 1.1 tmt_? -66.92 -19.69 65.77 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.191 -1.004 . . . . 0.0 109.414 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.95 -57.73 3.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.451 -0.78 . . . . 0.0 110.072 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -43.55 -41.5 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 CA-C-O 121.851 0.834 . . . . 0.0 108.856 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.56 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -82.94 -56.5 3.78 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.348 -179.135 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.031 -1.427 . . . . 0.0 109.572 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.254 0.549 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -80.03 5.6 13.68 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -96.22 -13.85 23.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -90.23 -38.36 13.49 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 0.0 110.266 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 6' ' ' PHE . 2.7 pp -67.82 -35.4 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.323 -0.861 . . . . 0.0 110.332 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' N ' HD12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -100.28 -147.15 0.35 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.242 -0.911 . . . . 0.0 110.025 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -159.92 62.85 1.97 Allowed Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 120.931 -1.106 . . . . 0.0 110.88 -179.503 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 6' ' ' PHE . 39.6 Cg_endo -92.52 -56.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.871 0 O-C-N 124.066 1.561 . . . . 0.0 110.341 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -80.75 47.68 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.165 -0.959 . . . . 0.0 110.031 179.599 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.57 -17.27 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.215 -0.928 . . . . 0.0 110.367 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 11' ' ' HIS . 2.7 t-160 -51.68 -85.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.172 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -52.0 -20.1 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.98 -179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.28 -41.02 8.15 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 106.963 -2.455 . . . . 0.0 106.963 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -80.86 -31.81 35.21 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 177.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.567 ' CB ' ' HA ' ' A' ' 12' ' ' VAL . 6.4 m -53.37 -81.19 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 119.281 -0.968 . . . . 0.0 109.235 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 19' ' ' LEU . 1.2 tp -40.66 -34.75 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.536 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -63.64 -42.14 98.18 Favored 'General case' 0 C--N 1.299 -1.591 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.205 179.457 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.523 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -65.44 -30.21 70.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.032 -1.042 . . . . 0.0 109.529 -179.364 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.5 mt -60.5 -61.09 2.85 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.535 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -45.3 -32.92 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.4 m -82.21 -63.05 1.46 Allowed 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.443 0.64 . . . . 0.0 110.359 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 117.955 -1.47 . . . . 0.0 109.477 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.224 0.535 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.563 ' HA ' HG23 ' A' ' 5' ' ' ILE . 42.4 m-85 -68.4 -31.31 70.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 0.0 110.148 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -44.42 -24.42 0.18 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.007 -1.058 . . . . 0.0 110.463 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 2' ' ' PHE . 1.5 m-70 -90.61 -11.44 39.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.148 -0.97 . . . . 0.0 110.871 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.563 HG23 ' HA ' ' A' ' 2' ' ' PHE . 1.1 pp -79.36 -24.46 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.07 -1.019 . . . . 0.0 110.27 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.52 ' N ' HG13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -99.49 177.03 5.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.255 -0.903 . . . . 0.0 110.34 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 171.75 2.03 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.538 ' HB2' ' CB ' ' A' ' 11' ' ' HIS . 46.4 Cg_endo -113.26 84.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 O-C-N 123.932 1.491 . . . . 0.0 110.662 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' H ' HG22 ' A' ' 9' ' ' ILE . 1.5 tp -69.97 -25.34 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 109.935 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 11' ' ' HIS . 2.0 t -80.03 -38.35 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.32 -0.862 . . . . 0.0 109.889 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.538 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 5.2 t-160 -49.27 -100.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.347 -0.845 . . . . 0.0 110.526 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.516 ' O ' ' HB ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -49.39 -21.78 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 120.77 -1.207 . . . . 0.0 109.835 -179.658 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 12' ' ' VAL . . . -45.8 -39.4 8.46 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 106.656 -2.578 . . . . 0.0 106.656 178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -81.23 -32.42 33.4 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 177.452 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' ARG . 3.0 m -48.24 -76.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.23 -0.919 . . . . 0.0 109.242 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 17' ' ' HIS . 1.9 tp -45.33 -45.81 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 119.461 -0.896 . . . . 0.0 109.003 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.1 t60 -57.94 -30.01 65.62 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.324 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -77.47 -32.15 54.18 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.551 -0.86 . . . . 0.0 110.588 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 2.9 mm? -64.92 -35.81 82.37 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.156 -0.965 . . . . 0.0 110.15 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 17' ' ' HIS . 1.1 m -69.66 -30.69 45.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-O 121.919 0.866 . . . . 0.0 108.707 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.404 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 15.8 m -88.69 -46.04 9.34 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.41 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' O ' ' NH2' ' A' ' 18' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.949 -1.473 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.245 0.545 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 4.3 m-85 -79.9 52.17 1.45 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.96 -41.02 6.97 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.141 -0.975 . . . . 0.0 110.205 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' ILE . 3.5 m-70 -52.14 -84.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.854 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.794 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -40.46 -34.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.461 -0.774 . . . . 0.0 110.752 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.557 ' N ' HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -71.68 -166.86 0.23 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.321 -0.862 . . . . 0.0 110.902 -179.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -170.24 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 0.0 110.25 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -117.91 160.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.587 0 O-C-N 123.899 1.473 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 9' ' ' ILE . 2.9 mp -80.41 58.45 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.899 . . . . 0.0 110.16 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.523 ' CG1' ' HA3' ' A' ' 13' ' ' GLY . 14.9 p -72.64 145.56 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.298 -0.876 . . . . 0.0 110.273 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 12' ' ' VAL . 3.3 t-160 -66.3 -112.5 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.144 -0.973 . . . . 0.0 110.367 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 ' HA ' ' CB ' ' A' ' 15' ' ' THR . 0.6 OUTLIER -47.13 -22.89 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.559 -1.338 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.523 ' HA3' ' CG1' ' A' ' 10' ' ' VAL . . . -46.4 -37.99 8.8 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 106.557 -2.617 . . . . 0.0 106.557 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 mttm -80.58 -32.97 36.36 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.745 ' O ' HD12 ' A' ' 19' ' ' LEU . 4.3 m -52.8 -78.89 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.413 -0.804 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.824 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.1 pp -44.65 -25.72 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.325 -0.859 . . . . 0.0 109.376 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.556 ' N ' HG13 ' A' ' 16' ' ' ILE . 1.9 t-160 -79.38 -34.27 42.12 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.4 -0.813 . . . . 0.0 109.115 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.29 -17.15 63.71 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.202 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' THR . 1.3 mp -90.85 -36.48 14.18 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.184 -1.006 . . . . 0.0 110.295 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.1 m -64.21 -34.49 69.32 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.208 -0.933 . . . . 0.0 108.558 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.467 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 97.6 m -88.9 -51.22 5.74 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.508 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.975 . . . . . . . . 0 0 . 1 stop_ save_