data_2ezy_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 2ezy _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 6' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.525 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 63.7 t60 -57.57 -48.89 78.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 110.024 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -70.07 -33.58 72.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.235 -0.915 . . . . 0.0 110.38 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.93 -38.71 69.79 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -67.44 -40.05 85.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.161 -0.962 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.7 m -84.6 15.48 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 0.0 109.938 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.16 -7.14 10.36 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.423 -0.798 . . . . 0.0 110.711 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -154.08 152.81 27.41 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 120.807 -1.183 . . . . 0.0 109.521 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.99 157.83 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.916 1.744 . . . . 0.0 111.614 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -91.49 -20.14 22.06 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.103 -0.998 . . . . 0.0 109.569 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.48 -138.12 18.76 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.29 30.04 6.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.464 -1.021 . . . . 0.0 110.862 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.59 150.29 75.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.79 -1.194 . . . . 0.0 108.658 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -63.73 152.93 78.27 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.286 1.991 . . . . 0.0 112.773 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.532 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.5 p -52.95 -46.65 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.5 0.667 . . . . 0.0 110.39 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.89 -1.73 0.27 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.6 t -82.62 -23.61 34.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.319 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.29 139.85 58.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.401 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -63.77 136.24 57.28 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.616 0.722 . . . . 0.0 109.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 -20.2 49.37 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.21 120.26 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.062 -1.258 . . . . 0.0 108.251 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.48 175.22 40.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.85 -40.03 79.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.424 -1.045 . . . . 0.0 110.459 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.11 -45.37 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.058 -1.026 . . . . 0.0 109.717 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.46 -36.11 82.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.442 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.36 95.65 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.3 -39.95 94.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.305 -1.115 . . . . 0.0 111.231 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.85 -44.61 84.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.642 -1.286 . . . . 0.0 109.609 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.93 -39.54 92.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.94 . . . . 0.0 109.452 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -39.99 87.48 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.291 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.73 -19.73 65.17 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.276 -0.89 . . . . 0.0 108.93 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 37' ' ' ARG . 48.1 mtt-85 -90.32 2.25 55.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.571 -0.706 . . . . 0.0 110.901 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.04 4.47 44.77 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.965 -1.084 . . . . 0.0 111.791 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.05 73.51 1.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.927 -1.337 . . . . 0.0 108.207 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.57 -12.56 58.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.56 -0.713 . . . . 0.0 110.167 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.3 150.96 50.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.433 -0.792 . . . . 0.0 109.17 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.02 94.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 111.422 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -58.46 -19.34 36.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.691 -1.256 . . . . 0.0 111.563 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.04 -31.74 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.416 -1.427 . . . . 0.0 107.529 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -77.4 -34.14 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.03 -39.1 84.73 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.58 -40.97 97.05 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -40.32 88.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.369 . . . . 0.0 108.974 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.89 -39.51 83.62 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.64 -29.18 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.302 -0.874 . . . . 0.0 110.549 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.96 15.78 9.4 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.41 35.05 5.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.767 -1.208 . . . . 0.0 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 60.99 20.0 10.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.745 -0.597 . . . . 0.0 111.568 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -67.34 118.34 10.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.273 -1.517 . . . . 0.0 108.128 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.28 -40.65 96.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.423 -0.798 . . . . 0.0 112.902 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.541 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 92.0 m-20 -69.91 -40.2 75.74 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.655 -1.278 . . . . 0.0 110.4 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.57 -39.99 73.59 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.78 -49.31 71.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.44 -0.787 . . . . 0.0 110.352 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.541 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.7 mtm180 -61.19 -43.88 98.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.0 -1.063 . . . . 0.0 110.9 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.03 -34.02 77.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.63 -1.294 . . . . 0.0 108.956 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.465 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.67 -48.19 81.95 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 110.501 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.421 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 63.9 tp -68.53 -50.33 52.8 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.55 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.25 -48.39 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.16 -0.963 . . . . 0.0 110.066 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -69.41 -26.83 64.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.587 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.3 m -80.16 -33.23 38.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 111.242 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 25.3 p -133.01 -25.22 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.556 -1.34 . . . . 0.0 112.411 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.85 14.21 23.64 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.48 152.73 2.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 109.476 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.7 169.07 12.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.019 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.7 70.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.492 -0.755 . . . . 0.0 110.556 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -40.03 67.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.975 -1.078 . . . . 0.0 109.295 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.64 -37.07 84.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.559 -0.713 . . . . 0.0 110.505 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.162 -0.961 . . . . 0.0 109.786 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -61.14 -37.88 84.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.012 -1.055 . . . . 0.0 110.278 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.57 -39.99 80.76 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.495 -1.378 . . . . 0.0 110.738 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.8 m -68.95 -40.04 79.19 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.856 -1.153 . . . . 0.0 110.008 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.36 -59.36 5.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.605 -1.309 . . . . 0.0 110.076 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.93 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.66 -48.14 67.52 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.057 -1.261 . . . . 0.0 109.13 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.04 -40.01 75.38 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.495 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -63.56 -40.71 97.68 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.036 -1.04 . . . . 0.0 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.525 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.5 mt-10 -69.85 -38.74 76.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.05 -1.031 . . . . 0.0 110.141 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.4 t90 -60.7 -44.6 96.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.668 -1.27 . . . . 0.0 108.655 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.75 -40.04 90.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.286 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.23 -32.57 70.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.79 17.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.198 -0.938 . . . . 0.0 110.486 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.0 m-85 . . . . . 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.511 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 63.5 t60 -57.55 -48.94 77.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.979 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -70.03 -33.56 72.13 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.97 -38.43 69.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.78 -40.0 84.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 110.219 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.34 15.1 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.952 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.92 -7.09 10.48 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.435 -0.79 . . . . 0.0 110.747 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -154.13 152.81 27.33 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.736 -1.227 . . . . 0.0 109.479 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -42.1 157.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.839 1.693 . . . . 0.0 111.611 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.3 ptp -91.52 -20.36 21.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.104 -0.998 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.03 -137.99 22.03 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.55 29.9 6.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.54 -0.976 . . . . 0.0 110.823 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.44 150.1 74.85 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 120.848 -1.157 . . . . 0.0 108.629 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -63.57 152.96 77.79 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.296 1.997 . . . . 0.0 112.873 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.6 p -52.99 -46.62 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-O 121.528 0.68 . . . . 0.0 110.396 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.89 -2.04 0.31 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.536 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.3 t -82.27 -23.65 35.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.946 -1.326 . . . . 0.0 109.128 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.34 139.87 58.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.407 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.417 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -63.67 136.52 57.55 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.652 0.739 . . . . 0.0 109.887 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.17 -20.25 49.58 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -99.14 120.15 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.083 -1.245 . . . . 0.0 108.33 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.39 175.35 40.87 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.92 -39.99 79.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.521 -0.988 . . . . 0.0 110.423 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.25 -45.19 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.96 -1.088 . . . . 0.0 109.756 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.61 -36.04 82.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.376 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.57 95.89 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.286 -1.126 . . . . 0.0 111.138 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.88 -44.57 84.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.612 -1.305 . . . . 0.0 109.658 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.04 -39.5 92.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 109.395 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.98 -40.0 87.65 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.176 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.59 -19.73 65.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.982 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' B' ' 37' ' ' ARG . 48.1 mtt-85 -90.34 1.89 56.1 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.383 -0.823 . . . . 0.0 110.83 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.4 4.41 43.66 Favored Glycine 0 N--CA 1.504 3.174 0 O-C-N 121.079 -1.013 . . . . 0.0 111.806 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.82 73.28 1.16 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.859 -1.377 . . . . 0.0 108.242 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -81.3 -12.81 58.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.524 -0.735 . . . . 0.0 110.045 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.11 150.84 50.34 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.469 -0.769 . . . . 0.0 109.252 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.01 94.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 111.449 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -58.4 -19.05 32.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.727 -1.233 . . . . 0.0 111.543 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.6 t -78.25 -31.8 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.423 -1.423 . . . . 0.0 107.552 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.38 -34.13 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.97 -38.84 83.67 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.68 97.24 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.04 -40.39 89.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.949 -1.324 . . . . 0.0 108.935 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -39.19 83.03 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.83 -29.47 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.362 -0.836 . . . . 0.0 110.472 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.63 15.44 9.52 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.028 . . . . 0.0 110.412 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.79 34.99 5.76 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.789 -1.194 . . . . 0.0 110.04 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 60.89 20.39 10.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.684 -0.635 . . . . 0.0 111.617 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -67.71 118.23 10.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.333 -1.479 . . . . 0.0 108.079 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -64.35 -40.29 95.57 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.39 -0.819 . . . . 0.0 112.925 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.553 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 91.9 m-20 -70.02 -40.29 75.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.627 -1.296 . . . . 0.0 110.46 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.59 -40.01 73.5 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.6 -49.44 71.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.553 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -61.26 -43.41 98.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.049 -1.032 . . . . 0.0 111.043 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.3 -34.18 77.73 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.581 -1.325 . . . . 0.0 108.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.3 t90 -61.4 -48.48 81.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 110.529 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 63.9 tp -68.34 -50.29 54.29 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 110.538 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -60.18 -48.62 80.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 110.123 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.28 -26.82 64.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 109.607 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 25.5 m -80.12 -33.44 38.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 111.168 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 25.3 p -132.96 -24.88 1.87 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.65 -1.281 . . . . 0.0 112.535 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.63 13.95 24.72 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 152.64 2.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.167 -1.196 . . . . 0.0 109.416 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -87.67 168.88 12.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.939 -1.101 . . . . 0.0 109.963 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -31.85 70.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.528 -0.733 . . . . 0.0 110.568 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -39.96 67.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.47 -37.36 84.96 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.508 -0.745 . . . . 0.0 110.486 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.13 -38.58 88.5 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.17 -0.956 . . . . 0.0 109.784 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -60.82 -38.09 84.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.986 -1.071 . . . . 0.0 110.244 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.39 -40.01 81.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.557 -1.339 . . . . 0.0 110.687 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 93.9 m -69.01 -39.98 78.97 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.837 -1.164 . . . . 0.0 110.088 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.33 -59.56 5.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.67 -1.269 . . . . 0.0 110.069 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.19 78.2 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.65 -48.14 67.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.948 -1.325 . . . . 0.0 109.171 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.08 -40.09 75.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 109.467 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -63.45 -40.75 97.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.963 -1.086 . . . . 0.0 110.341 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.511 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.4 mt-10 -69.74 -38.86 77.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.987 -1.07 . . . . 0.0 110.182 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.594 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -60.5 -44.86 95.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.676 -1.265 . . . . 0.0 108.65 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.58 -40.07 90.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.58 -0.7 . . . . 0.0 109.314 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.18 -32.72 70.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.427 -0.796 . . . . 0.0 109.596 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.38 -35.65 18.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.181 -0.95 . . . . 0.0 110.499 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.594 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.8 m-85 -106.54 -86.09 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.304 -0.873 . . . . 0.0 110.226 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 120.955 -1.09 . . . . 0.0 108.722 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.68 -50.43 73.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.999 -1.063 . . . . 0.0 110.464 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -32.81 71.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.044 -1.035 . . . . 0.0 110.104 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.23 -36.99 69.26 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.449 -0.782 . . . . 0.0 110.098 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.89 -40.87 78.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.589 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.38 16.51 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.081 -1.012 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.36 -4.67 9.39 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.08 150.69 28.01 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 120.885 -1.134 . . . . 0.0 109.807 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.53 164.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.185 1.924 . . . . 0.0 111.984 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.44 -19.16 23.15 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.033 -1.042 . . . . 0.0 109.773 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.49 -141.58 5.8 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.01 26.1 10.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.496 -1.002 . . . . 0.0 110.069 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 150.15 80.93 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 120.92 -1.113 . . . . 0.0 108.18 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -62.32 153.28 71.41 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.59 2.193 . . . . 0.0 113.027 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 22' ' ' SER . 8.1 p -53.97 -46.16 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-O 121.517 0.675 . . . . 0.0 110.244 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.97 -2.49 0.37 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 20' ' ' VAL . 78.8 p -81.14 -24.45 37.62 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.914 -1.344 . . . . 0.0 109.093 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.38 138.38 58.43 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.791 0.805 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 134.91 54.6 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.424 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.544 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.9 -17.5 56.22 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 26' ' ' ILE . 38.2 mm -100.1 118.9 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 174.07 35.24 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.21 -39.98 84.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -1.013 . . . . 0.0 110.314 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.1 t -69.25 -44.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.821 -1.175 . . . . 0.0 109.198 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.23 -39.88 86.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.1 96.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.24 -39.26 92.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.245 -1.15 . . . . 0.0 110.968 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.01 -41.58 90.82 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.603 -1.31 . . . . 0.0 110.298 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.98 -40.02 91.83 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.068 -1.02 . . . . 0.0 109.483 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.8 -40.1 91.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.846 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.53 -20.02 63.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -88.68 -0.06 56.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 109.872 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.96 38.67 3.54 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.76 72.08 1.48 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -79.48 -15.04 58.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.427 -0.796 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 67.5 mmtt -131.74 152.26 51.05 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.047 -1.033 . . . . 0.0 110.03 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.581 -0.699 . . . . 0.0 111.748 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 26.9 p90 -58.75 -18.59 32.95 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.731 -1.23 . . . . 0.0 111.357 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.61 -31.32 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.59 -1.318 . . . . 0.0 107.932 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.26 -34.71 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.46 98.2 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.31 -43.51 96.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.059 -1.259 . . . . 0.0 109.022 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.4 -37.66 80.55 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.83 -29.41 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.45 14.28 10.06 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.155 -0.966 . . . . 0.0 110.516 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 48.16 36.61 6.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.644 -1.285 . . . . 0.0 109.989 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 mttm 60.25 20.48 9.91 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.628 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.65 112.59 4.85 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.613 -1.305 . . . . 0.0 108.394 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -41.9 97.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.415 -0.803 . . . . 0.0 113.15 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.7 m-20 -68.88 -39.92 79.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.528 -1.357 . . . . 0.0 110.473 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.12 -38.73 75.65 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.063 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.52 -48.95 75.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.368 -0.832 . . . . 0.0 109.847 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 78.7 mtm180 -59.96 -47.01 87.57 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.177 -0.952 . . . . 0.0 111.093 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.78 -38.06 89.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.867 -1.145 . . . . 0.0 108.748 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.6 t90 -63.16 -48.63 77.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.14 -47.61 64.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.962 -1.086 . . . . 0.0 111.147 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -62.03 -47.45 84.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.934 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.0 t0 -68.34 -28.21 66.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.574 -0.704 . . . . 0.0 109.629 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 43.4 m -79.31 -34.55 42.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.221 -0.924 . . . . 0.0 111.296 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -132.42 -31.34 1.41 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.482 -1.386 . . . . 0.0 112.221 -177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.3 15.64 11.27 Favored Glycine 0 N--CA 1.502 3.077 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.05 152.87 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.12 -1.223 . . . . 0.0 109.749 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.57 172.12 8.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.11 -0.994 . . . . 0.0 110.151 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.49 75.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.533 -0.729 . . . . 0.0 111.464 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -71.98 -39.99 68.89 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.592 -1.317 . . . . 0.0 110.041 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.7 mm100 -66.55 -38.2 86.6 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.518 -0.739 . . . . 0.0 110.293 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -66.8 -37.19 84.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.966 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -60.03 -39.3 85.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.88 -1.138 . . . . 0.0 109.58 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.16 -40.0 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.828 -1.17 . . . . 0.0 110.807 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -67.83 -39.94 83.82 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.958 -1.089 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.92 -60.9 3.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.842 -1.161 . . . . 0.0 110.325 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.93 83.93 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.1 t -68.81 -49.07 61.57 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.136 -1.214 . . . . 0.0 109.712 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.95 -40.07 75.66 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.227 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.31 -40.02 92.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -0.978 . . . . 0.0 109.511 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.87 -39.43 76.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -0.965 . . . . 0.0 110.867 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.4 t90 -60.9 -43.05 99.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.558 -1.339 . . . . 0.0 108.631 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.482 -0.761 . . . . 0.0 109.549 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.25 -32.21 69.79 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.435 -0.791 . . . . 0.0 110.265 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -34.43 19.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.137 -0.977 . . . . 0.0 110.386 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.6 m-85 . . . . . 0 N--CA 1.496 1.861 0 O-C-N 121.316 -0.865 . . . . 0.0 110.896 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.958 0.408 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.59 -50.48 73.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.045 -1.034 . . . . 0.0 110.441 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.09 -32.71 70.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.968 . . . . 0.0 110.102 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -72.32 -37.13 69.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.71 -40.84 79.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.66 16.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.001 . . . . 0.0 109.923 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.6 -4.77 9.26 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.653 -0.654 . . . . 0.0 110.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.02 150.57 27.83 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.916 -1.115 . . . . 0.0 109.853 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -44.5 164.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.042 1.828 . . . . 0.0 112.038 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.41 -19.0 23.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -0.99 . . . . 0.0 109.815 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.36 -141.75 5.54 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -106.77 26.02 10.53 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.965 . . . . 0.0 110.111 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 150.18 80.76 Favored Pre-proline 0 C--N 1.303 -1.43 0 O-C-N 121.015 -1.053 . . . . 0.0 108.249 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -62.22 153.33 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.598 2.199 . . . . 0.0 113.045 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' B' ' 22' ' ' SER . 8.0 p -54.08 -46.09 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.456 0.645 . . . . 0.0 110.204 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -56.1 -2.28 0.37 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 20' ' ' VAL . 79.3 p -81.32 -24.47 37.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.033 -1.275 . . . . 0.0 109.069 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.34 138.21 58.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.703 0.763 . . . . 0.0 109.83 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 134.81 54.38 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.859 -0.737 . . . . 0.0 109.578 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.54 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.87 -17.22 56.66 Favored Glycine 0 N--CA 1.498 2.803 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -100.21 118.9 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 174.05 35.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.27 -39.95 84.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.428 -1.042 . . . . 0.0 110.222 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.17 -45.05 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -39.98 87.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -0.876 . . . . 0.0 109.089 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.99 96.43 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.12 -39.59 93.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.155 -1.203 . . . . 0.0 110.924 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.84 -41.55 91.59 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.231 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.022 -1.049 . . . . 0.0 109.467 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.84 -40.01 91.25 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.861 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.54 -20.16 63.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.194 -0.941 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -88.68 0.0 56.86 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.613 -0.679 . . . . 0.0 109.91 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.98 38.64 3.54 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.88 72.19 1.49 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -79.66 -15.09 58.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.476 -0.765 . . . . 0.0 110.537 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 67.2 mmtt -131.68 152.36 50.93 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.155 -0.965 . . . . 0.0 109.98 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.18 99.0 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.58 -0.7 . . . . 0.0 111.785 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.402 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 27.0 p90 -58.94 -18.72 36.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.726 -1.234 . . . . 0.0 111.28 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.55 -31.22 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.505 -1.372 . . . . 0.0 107.919 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.3 -34.69 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 tp -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.67 98.12 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.03 -43.69 95.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.104 -1.233 . . . . 0.0 108.9 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.37 -37.92 80.91 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.67 -29.31 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.347 -0.846 . . . . 0.0 110.197 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.62 14.59 9.67 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.036 -1.04 . . . . 0.0 110.477 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 47.92 36.77 6.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.626 -1.296 . . . . 0.0 110.046 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 60.16 20.36 9.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.58 -0.7 . . . . 0.0 110.651 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.54 112.72 4.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.679 -1.263 . . . . 0.0 108.353 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -42.1 97.59 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 113.057 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.7 m-20 -68.69 -39.96 80.3 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.643 -1.286 . . . . 0.0 110.432 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.16 -38.47 75.46 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.099 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.75 -48.87 75.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.0 109.811 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 78.8 mtm180 -59.97 -47.27 86.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.198 -0.939 . . . . 0.0 110.995 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.67 -37.97 88.52 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.93 -1.106 . . . . 0.0 108.709 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.451 ' O ' ' OG1' ' B' ' 66' ' ' THR . 64.5 t90 -63.25 -48.53 77.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 111.582 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -69.16 -47.85 63.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.947 -1.095 . . . . 0.0 111.011 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.86 -47.54 84.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.035 -1.041 . . . . 0.0 109.945 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.5 t0 -68.15 -28.25 67.14 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.617 -0.677 . . . . 0.0 109.703 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 43.1 m -79.29 -34.58 42.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 111.304 -178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.41 -31.4 1.41 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.598 -1.314 . . . . 0.0 112.236 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 15.9 11.05 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.24 152.87 3.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.089 -1.242 . . . . 0.0 109.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.53 172.1 8.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.176 -0.952 . . . . 0.0 110.127 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.3 75.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 111.407 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -72.04 -40.1 68.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.515 -1.366 . . . . 0.0 109.995 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.7 mm100 -66.65 -37.93 85.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 110.374 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -67.0 -37.04 83.49 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.924 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.099 . . . . 0.0 109.579 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.37 -39.97 85.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.811 -1.18 . . . . 0.0 110.801 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.81 -39.92 83.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.778 -1.201 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.92 -60.75 3.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.733 -1.229 . . . . 0.0 110.335 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -32.84 83.96 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.9 -48.98 62.01 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.306 . . . . 0.0 109.766 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.06 -39.86 75.4 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.29 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.38 -39.94 92.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.134 -0.979 . . . . 0.0 109.522 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.02 -39.42 75.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.169 -0.957 . . . . 0.0 110.817 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.3 t90 -60.98 -42.91 99.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.508 -1.37 . . . . 0.0 108.665 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.408 -0.808 . . . . 0.0 109.493 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.29 -32.11 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.491 -0.756 . . . . 0.0 110.252 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.76 -34.49 19.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.135 -0.978 . . . . 0.0 110.366 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.6 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.5 m-85 -107.42 -87.59 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.313 -0.867 . . . . 0.0 110.846 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.62 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.152 0.501 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.07 -50.95 71.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.156 -0.965 . . . . 0.0 110.502 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -69.93 -33.47 72.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 110.248 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.28 -39.25 75.01 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.614 -0.678 . . . . 0.0 110.24 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -68.62 -39.94 80.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 110.939 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -86.15 14.8 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.029 -1.044 . . . . 0.0 110.685 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.25 -7.2 11.26 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.28 -0.887 . . . . 0.0 110.558 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.22 152.64 23.73 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.902 -1.124 . . . . 0.0 109.311 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -41.86 160.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.994 1.796 . . . . 0.0 112.505 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 ptp -91.4 -18.92 23.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -138.66 15.21 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.1 30.01 6.58 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.4 -1.059 . . . . 0.0 110.733 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -60.59 149.6 77.87 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 120.679 -1.263 . . . . 0.0 108.938 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.92 153.15 75.11 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.49 2.126 . . . . 0.0 112.89 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 22' ' ' SER . 1.7 p -54.11 -41.88 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.07 -3.63 1.35 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 20' ' ' VAL . 22.8 m -82.17 -20.44 37.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.989 -1.301 . . . . 0.0 109.032 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.78 138.88 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.145 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -63.56 136.12 57.32 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.319 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.64 -20.0 50.03 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -98.3 117.08 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.254 . . . . 0.0 108.212 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.57 176.5 38.29 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.424 -1.471 . . . . 0.0 109.424 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 46.8 mp0 -59.03 -40.14 84.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.243 -1.151 . . . . 0.0 110.439 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.48 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.72 -1.238 . . . . 0.0 109.322 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.61 -39.4 88.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.828 . . . . 0.0 109.408 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.93 96.3 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.8 -39.91 93.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -1.053 . . . . 0.0 110.479 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.03 -43.7 78.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.774 -1.204 . . . . 0.0 109.655 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.85 -39.97 91.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 108.53 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.03 -40.86 90.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.165 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.25 64.44 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -89.68 0.24 57.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.604 -0.685 . . . . 0.0 109.809 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.38 4.63 40.59 Favored Glycine 0 N--CA 1.505 3.243 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.149 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.37 75.55 1.25 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.797 -1.414 . . . . 0.0 109.546 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -83.5 -13.84 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.323 -0.86 . . . . 0.0 110.517 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.94 150.79 50.23 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.02 94.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 111.867 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.93 -19.74 53.48 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.521 -1.362 . . . . 0.0 111.275 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.4 -31.36 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.1 t -74.96 -39.92 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.84 -38.56 82.42 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.17 86.34 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.1 -45.71 92.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.196 -1.179 . . . . 0.0 109.545 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.419 -0.8 . . . . 0.0 109.049 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.74 -39.13 80.49 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.84 -26.88 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -87.96 13.01 11.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.184 -0.947 . . . . 0.0 110.316 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.66 38.99 12.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.765 -1.209 . . . . 0.0 110.437 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 59.99 20.08 9.16 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 110.587 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.73 106.94 2.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.394 -1.442 . . . . 0.0 108.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 60' ' ' ARG . 34.0 tt0 -64.51 -40.03 94.89 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.26 -0.9 . . . . 0.0 112.525 -178.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.599 -1.313 . . . . 0.0 109.602 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.95 -39.3 76.13 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.238 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.23 -49.49 71.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.479 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 56' ' ' GLU . 99.1 mtt180 -60.01 -47.38 86.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.41 -0.806 . . . . 0.0 110.586 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.65 -36.53 84.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.88 -1.137 . . . . 0.0 109.329 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' A' ' 66' ' ' THR . 49.9 t90 -67.07 -43.56 82.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.684 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.9 -49.38 58.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 110.864 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -61.56 -46.82 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.85 -27.07 65.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.825 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 54.6 m -80.26 -34.69 36.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 111.426 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -131.72 -29.89 1.68 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.548 -1.345 . . . . 0.0 112.381 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.07 14.45 24.54 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 155.22 3.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -1.176 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -88.32 169.2 12.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.18 70.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.524 -0.735 . . . . 0.0 111.309 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 3.5 ttmp? -71.46 -40.44 70.33 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.583 -1.323 . . . . 0.0 110.056 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.67 -39.6 88.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.419 -0.8 . . . . 0.0 110.127 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.4 m -65.01 -39.81 93.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.817 . . . . 0.0 110.65 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -60.09 -36.75 78.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.722 -1.236 . . . . 0.0 109.721 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.88 -39.68 83.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.586 -1.321 . . . . 0.0 110.787 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.9 m -68.12 -39.9 82.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.805 -1.184 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.67 -60.91 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.725 -1.234 . . . . 0.0 110.05 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.51 -32.04 81.76 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.87 -49.62 56.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.852 -1.381 . . . . 0.0 109.645 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.05 -40.04 75.35 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.314 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.24 -40.7 95.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.004 -1.06 . . . . 0.0 110.172 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.09 -37.3 75.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.435 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.3 t90 -59.99 -45.33 93.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.739 -1.225 . . . . 0.0 108.308 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.54 -40.05 93.27 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.96 -33.59 72.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.39 -0.819 . . . . 0.0 109.558 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.47 -37.08 20.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.854 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.0 m-85 . . . . . 0 N--CA 1.498 1.936 0 O-C-N 121.36 -0.837 . . . . 0.0 110.519 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -59.94 -50.96 71.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.928 . . . . 0.0 110.471 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -70.08 -33.25 71.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -70.48 -39.06 74.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 110.226 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.7 -40.13 80.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.925 . . . . 0.0 110.818 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -85.87 14.7 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 110.699 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.24 -7.23 11.26 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.233 -0.917 . . . . 0.0 110.602 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.12 152.82 24.27 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.834 -1.166 . . . . 0.0 109.238 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -41.86 159.9 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.107 1.871 . . . . 0.0 112.474 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.5 ptp -91.33 -19.01 23.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.265 -0.897 . . . . 0.0 109.841 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.16 -138.69 15.63 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.18 30.01 6.59 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -1.027 . . . . 0.0 110.732 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.83 149.51 80.1 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.817 -1.177 . . . . 0.0 108.899 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.8 153.17 74.43 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.458 2.105 . . . . 0.0 113.001 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' B' ' 22' ' ' SER . 1.8 p -54.12 -41.94 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.548 -0.72 . . . . 0.0 110.051 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.95 -3.76 1.35 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.6 m -82.07 -20.13 38.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.859 -1.377 . . . . 0.0 109.118 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.97 138.86 58.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.113 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 136.28 57.42 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.266 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.55 -20.06 49.91 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.7 mm -98.22 116.98 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.098 -1.237 . . . . 0.0 108.268 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.52 176.5 38.36 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 46.7 mp0 -59.1 -40.02 84.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -1.136 . . . . 0.0 110.512 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.21 -45.55 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 109.299 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.6 -39.45 88.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -0.81 . . . . 0.0 109.432 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.85 96.29 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -1.084 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -67.89 -43.75 78.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.779 -1.201 . . . . 0.0 109.648 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.06 -39.87 91.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.162 -0.961 . . . . 0.0 108.506 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.06 -40.76 90.59 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.198 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.11 64.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 108.952 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.74 0.15 57.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.573 -0.704 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 4.56 40.56 Favored Glycine 0 N--CA 1.504 3.222 0 O-C-N 121.205 -0.935 . . . . 0.0 112.132 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.13 75.55 1.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.669 -1.489 . . . . 0.0 109.59 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -83.37 -13.92 53.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.272 -0.892 . . . . 0.0 110.43 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.84 150.8 50.18 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.267 -0.895 . . . . 0.0 108.991 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.9 94.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.382 -0.824 . . . . 0.0 111.756 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -59.98 -19.85 54.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.56 -1.337 . . . . 0.0 111.405 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -77.95 -31.66 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.4 t -74.92 -39.88 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.0 -38.54 82.9 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.02 -42.11 86.37 Favored Glycine 0 N--CA 1.483 1.805 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.07 -45.64 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.12 -1.224 . . . . 0.0 109.618 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.92 -40.14 87.82 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.406 -0.809 . . . . 0.0 109.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.68 -39.21 80.69 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.85 -26.76 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 110.139 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -87.94 12.99 11.85 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.111 -0.993 . . . . 0.0 110.298 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.77 38.87 12.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.575 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.572 -0.705 . . . . 0.0 110.578 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -68.64 106.72 2.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.448 -1.408 . . . . 0.0 108.467 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.468 ' CD ' ' NH2' ' B' ' 60' ' ' ARG . 33.8 tt0 -64.6 -40.0 94.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.901 . . . . 0.0 112.443 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.13 -40.0 86.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.642 -1.286 . . . . 0.0 109.616 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.98 -39.37 75.98 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.145 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.05 -49.4 72.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.0 109.632 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' CD ' ' B' ' 56' ' ' GLU . 99.1 mtt180 -60.13 -47.4 86.06 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.509 -0.744 . . . . 0.0 110.526 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.55 -36.67 84.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.848 -1.157 . . . . 0.0 109.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' B' ' 66' ' ' THR . 50.1 t90 -66.96 -43.69 82.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 110.691 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.96 -49.34 58.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.98 -1.075 . . . . 0.0 110.849 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.58 -46.76 88.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -68.94 -27.09 65.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.341 -0.849 . . . . 0.0 109.752 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 55.5 m -80.32 -34.47 36.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 111.483 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.1 p -131.93 -29.78 1.64 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.597 -1.314 . . . . 0.0 112.286 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.89 14.58 24.56 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.32 155.17 3.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.176 -1.191 . . . . 0.0 109.926 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -88.11 169.15 12.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -0.974 . . . . 0.0 109.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -28.93 70.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 111.361 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' B' ' 72' ' ' LYS . 3.5 ttmp? -71.53 -40.3 70.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.52 -1.363 . . . . 0.0 110.029 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.8 -39.6 87.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.437 -0.789 . . . . 0.0 110.169 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -64.96 -39.83 94.08 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.312 -0.867 . . . . 0.0 110.669 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -60.04 -36.82 78.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.741 -1.224 . . . . 0.0 109.669 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.58 -39.94 84.85 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.539 -1.351 . . . . 0.0 110.784 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.91 -40.1 83.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.71 -1.244 . . . . 0.0 110.176 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.51 -60.96 2.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.75 -1.218 . . . . 0.0 110.116 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.39 -32.26 82.32 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.65 -49.78 56.42 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.918 -1.342 . . . . 0.0 109.712 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.06 -40.07 75.29 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.31 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.99 -40.89 95.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.088 -1.007 . . . . 0.0 110.1 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.1 -37.17 75.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.166 -0.959 . . . . 0.0 110.55 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -60.1 -45.42 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.767 -1.208 . . . . 0.0 108.254 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.5 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 0.0 109.518 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.53 -36.94 20.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.154 -0.966 . . . . 0.0 109.926 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -104.08 -84.68 0.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.331 -0.856 . . . . 0.0 110.356 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.053 -1.029 . . . . 0.0 109.484 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.012 0.434 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.503 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 69.4 t60 -60.05 -52.42 65.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.91 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -70.07 -34.46 73.2 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.938 -1.101 . . . . 0.0 109.828 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.53 -0.731 . . . . 0.0 110.221 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.39 -40.0 81.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.011 -1.056 . . . . 0.0 110.22 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.13 13.71 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.083 -1.011 . . . . 0.0 110.382 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.92 -7.87 11.35 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.331 -0.856 . . . . 0.0 110.418 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.71 152.9 26.77 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.952 -1.092 . . . . 0.0 109.527 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -41.57 159.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.134 1.889 . . . . 0.0 111.991 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.6 ptp -91.27 -19.17 23.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.24 -140.93 17.47 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.63 29.62 6.42 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.429 -1.042 . . . . 0.0 110.128 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.15 149.16 83.19 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.093 -1.004 . . . . 0.0 108.35 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.53 155.83 64.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.231 1.954 . . . . 0.0 112.757 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 22' ' ' SER . 4.4 p -52.57 -43.4 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.633 -0.667 . . . . 0.0 110.238 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.57 -3.05 0.89 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 20' ' ' VAL . 39.0 t -81.52 -21.08 38.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.743 -1.445 . . . . 0.0 109.012 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.84 139.73 58.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.414 -0.804 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.46 136.24 56.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.724 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -21.59 44.17 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 HD11 ' A' ' 26' ' ' ILE . 33.9 mm -97.31 115.73 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.108 -1.23 . . . . 0.0 107.914 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.01 178.07 40.3 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -58.66 -40.03 82.34 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -1.085 . . . . 0.0 110.332 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.67 -44.66 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.788 -1.195 . . . . 0.0 109.356 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.02 -37.71 84.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.475 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.91 93.75 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -37.82 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -1.229 . . . . 0.0 110.31 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.08 -45.54 80.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.842 -1.161 . . . . 0.0 110.033 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.56 -38.53 87.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.211 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.0 -40.73 90.23 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.659 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.94 -19.99 65.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.183 -0.948 . . . . 0.0 109.045 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -90.04 0.99 56.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.605 -0.684 . . . . 0.0 109.763 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.24 38.7 3.95 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 121.063 -1.023 . . . . 0.0 111.0 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.43 73.77 1.51 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.122 -1.222 . . . . 0.0 108.893 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -82.55 -12.38 57.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.005 -1.059 . . . . 0.0 110.393 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.92 50.53 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.152 -0.967 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.95 94.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.422 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 30.0 p90 -60.1 -20.13 56.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.712 -1.243 . . . . 0.0 111.433 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -78.45 -32.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.415 -1.428 . . . . 0.0 107.477 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.16 -37.12 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.33 -42.15 93.44 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.96 -40.91 90.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.064 -1.257 . . . . 0.0 109.046 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.01 -39.96 87.64 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.14 -38.69 85.99 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.902 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.24 -28.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 111.428 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 14.42 7.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.877 -1.139 . . . . 0.0 110.821 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm 59.94 19.57 8.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.2 mttt 60.18 19.96 9.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.723 . . . . 0.0 111.219 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 124.75 23.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.463 . . . . 0.0 107.738 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.3 tt0 -64.54 -40.77 96.22 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.102 -0.999 . . . . 0.0 113.503 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.0 -39.84 75.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.533 -1.354 . . . . 0.0 110.559 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.97 -37.41 75.76 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.123 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -63.51 -45.0 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.165 -0.96 . . . . 0.0 109.763 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 96.4 mtt180 -60.04 -45.38 93.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.368 -0.832 . . . . 0.0 111.288 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.71 -36.9 84.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.759 -1.213 . . . . 0.0 109.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.44 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.9 t90 -60.74 -49.63 76.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.075 -1.016 . . . . 0.0 110.919 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.16 -46.3 71.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.954 -1.091 . . . . 0.0 110.303 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -61.11 -49.95 75.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.076 -1.015 . . . . 0.0 110.558 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.37 -26.37 64.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.431 -0.793 . . . . 0.0 109.745 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 54.2 m -79.92 -35.24 38.14 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.256 -0.902 . . . . 0.0 111.033 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.537 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 30.3 p -131.13 -27.24 2.05 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.547 -1.346 . . . . 0.0 111.95 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.67 14.86 20.44 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.537 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.33 153.92 1.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -1.213 . . . . 0.0 109.145 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -90.79 170.71 9.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.776 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.65 72.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.768 . . . . 0.0 110.847 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.41 -41.41 69.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.852 -1.155 . . . . 0.0 110.269 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -67.09 -35.54 80.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -66.92 -38.08 85.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.174 -0.954 . . . . 0.0 109.945 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.07 -38.9 87.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.862 -1.148 . . . . 0.0 110.099 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.16 -39.81 82.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.718 -1.239 . . . . 0.0 110.672 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.48 -39.95 81.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.912 -1.117 . . . . 0.0 110.204 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -60.66 -59.31 5.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.579 -1.326 . . . . 0.0 110.245 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.21 81.57 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.7 t -68.52 -48.21 64.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.07 -1.253 . . . . 0.0 109.428 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.9 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 82' ' ' ARG . 1.2 tpt180 -60.27 -40.72 91.37 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.503 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 0.0 111.434 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.2 t90 -59.95 -44.27 94.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.313 -1.492 . . . . 0.0 108.59 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.97 -39.96 93.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.643 -0.66 . . . . 0.0 109.563 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.6 -33.53 71.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.437 -0.789 . . . . 0.0 109.728 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.73 -35.59 17.83 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.302 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 82.3 m-85 . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.244 -0.91 . . . . 0.0 110.412 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.935 0.397 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.501 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 69.1 t60 -60.02 -52.46 65.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -70.07 -34.47 73.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.041 -1.037 . . . . 0.0 109.792 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.91 -39.44 72.72 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.062 -1.023 . . . . 0.0 110.365 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.14 13.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.025 -1.047 . . . . 0.0 110.274 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.09 -7.97 11.25 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.277 -0.89 . . . . 0.0 110.466 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.67 152.89 26.81 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 120.886 -1.134 . . . . 0.0 109.488 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.54 160.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.074 1.849 . . . . 0.0 112.108 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.6 ptp -91.25 -19.38 23.07 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.252 -0.905 . . . . 0.0 109.645 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.28 -140.93 17.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.64 29.68 6.37 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.418 -1.048 . . . . 0.0 110.117 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.27 149.39 82.96 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 108.289 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.63 155.56 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.286 1.991 . . . . 0.0 112.814 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' B' ' 22' ' ' SER . 4.4 p -52.3 -43.32 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.655 -0.653 . . . . 0.0 110.265 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.59 -3.11 0.92 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.4 t -81.51 -21.09 38.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.798 -1.413 . . . . 0.0 109.045 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.91 139.78 58.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.514 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 136.12 56.74 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.657 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -21.41 44.88 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 26' ' ' ILE . 33.2 mm -97.46 115.63 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.223 -1.163 . . . . 0.0 107.915 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.81 178.19 40.7 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -58.75 -39.95 82.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.444 -1.033 . . . . 0.0 110.327 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.76 -44.75 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.127 . . . . 0.0 109.312 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.93 -37.69 84.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.98 93.96 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.52 -37.88 88.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -1.21 . . . . 0.0 110.306 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.01 -45.52 81.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.773 -1.204 . . . . 0.0 109.994 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.69 -38.52 88.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -0.991 . . . . 0.0 109.105 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.05 -40.71 90.35 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.607 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.01 -20.01 64.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.156 -0.965 . . . . 0.0 109.024 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -90.0 0.94 56.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.46 -0.775 . . . . 0.0 109.717 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.29 38.8 3.91 Favored Glycine 0 N--CA 1.499 2.894 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.965 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.48 73.76 1.5 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.167 -1.196 . . . . 0.0 108.875 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -82.62 -12.23 57.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.977 -1.077 . . . . 0.0 110.368 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.9 50.56 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.067 -1.021 . . . . 0.0 109.873 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.97 94.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.551 -0.718 . . . . 0.0 111.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 30.3 p90 -60.22 -20.03 57.01 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.647 -1.283 . . . . 0.0 111.429 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.53 -31.98 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.393 -1.442 . . . . 0.0 107.454 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -78.17 -37.21 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.94 -39.75 86.6 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.55 -41.97 93.8 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.05 -40.92 91.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -1.218 . . . . 0.0 108.967 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.96 -40.03 87.63 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.07 -38.76 86.35 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.25 -28.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.473 -0.767 . . . . 0.0 111.343 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.87 14.33 7.44 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.831 -1.168 . . . . 0.0 110.797 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 59.94 19.55 8.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.301 -0.875 . . . . 0.0 109.475 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 60.12 19.99 9.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.519 -0.738 . . . . 0.0 111.229 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.76 124.68 23.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.481 -1.387 . . . . 0.0 107.714 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.4 tt0 -64.57 -40.77 96.15 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.172 -0.955 . . . . 0.0 113.528 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.97 -39.86 75.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.697 -1.252 . . . . 0.0 110.612 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.39 75.86 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.113 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.5 -44.9 93.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 109.814 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 96.4 mtt180 -60.11 -45.48 92.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.803 . . . . 0.0 111.223 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.6 -36.97 85.28 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.702 -1.249 . . . . 0.0 109.262 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.9 t90 -60.65 -49.64 76.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 110.9 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.19 -46.47 70.56 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.107 -0.996 . . . . 0.0 110.265 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.05 -49.96 75.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.126 -0.984 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.24 -26.4 64.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.865 . . . . 0.0 109.736 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 54.3 m -79.99 -35.21 37.8 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.206 -0.934 . . . . 0.0 111.132 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.511 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 30.3 p -130.99 -27.32 2.07 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.644 -1.285 . . . . 0.0 111.92 -178.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.47 15.05 20.32 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.511 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -51.27 153.76 1.93 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.01 -1.288 . . . . 0.0 109.104 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.58 170.7 9.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.109 -0.994 . . . . 0.0 109.802 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.65 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.468 -0.77 . . . . 0.0 110.853 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.3 -41.47 69.9 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.701 -1.249 . . . . 0.0 110.202 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.07 -35.84 80.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 0.0 110.508 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 19.5 p -66.67 -38.11 86.15 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.09 -38.81 87.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.852 -1.155 . . . . 0.0 110.119 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.07 -39.95 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.717 -1.239 . . . . 0.0 110.68 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.44 -40.12 81.27 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.887 -1.133 . . . . 0.0 110.126 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.42 -59.29 5.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.21 81.8 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.096 -1.05 . . . . 0.0 110.484 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.8 t -68.49 -48.23 64.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.11 -1.23 . . . . 0.0 109.4 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.921 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' B' ' 82' ' ' ARG . 1.2 tpt180 -60.21 -40.77 91.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.141 -0.974 . . . . 0.0 109.185 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.501 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -39.98 75.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 111.531 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.14 -44.08 95.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.217 -1.552 . . . . 0.0 108.559 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.01 -39.99 94.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.518 -0.739 . . . . 0.0 109.541 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.66 -33.46 71.57 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.464 -0.773 . . . . 0.0 109.738 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.77 -35.53 17.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 82.1 m-85 -105.28 -85.72 0.48 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.329 -0.857 . . . . 0.0 110.366 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.856 -1.153 . . . . 0.0 108.72 -179.459 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.66 -49.3 78.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.072 -1.018 . . . . 0.0 110.522 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.93 -31.03 68.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.11 -0.994 . . . . 0.0 110.328 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.5 -39.97 73.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.166 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -67.2 -42.25 84.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 110.483 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.9 14.77 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.071 -1.018 . . . . 0.0 110.03 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.65 -9.8 13.71 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.425 -0.797 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.65 153.15 28.56 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.843 -1.16 . . . . 0.0 109.959 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.74 160.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.81 1.673 . . . . 0.0 111.373 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 ptp -88.93 -19.97 25.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.964 -1.085 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.58 -142.65 11.25 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.63 28.89 5.67 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.582 -0.952 . . . . 0.0 110.377 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.75 88.67 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 120.99 -1.069 . . . . 0.0 108.443 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.4 159.45 50.28 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.403 2.069 . . . . 0.0 112.746 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 22' ' ' SER . 5.5 p -55.7 -46.08 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.694 -0.629 . . . . 0.0 111.081 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.67 -2.9 0.36 Allowed Glycine 0 N--CA 1.492 2.423 0 O-C-N 121.33 -0.856 . . . . 0.0 110.987 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.8 m -81.0 -18.19 47.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.735 -1.45 . . . . 0.0 109.564 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.86 136.44 56.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.29 139.7 58.08 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.06 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.32 60.13 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 26' ' ' ILE . 33.1 mm -97.41 118.0 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.73 169.35 40.67 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -1.07 . . . . 0.0 110.106 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.44 -42.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.925 -1.11 . . . . 0.0 109.424 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.78 -38.76 87.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.324 -0.86 . . . . 0.0 109.709 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.84 96.24 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.24 -38.89 90.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.147 . . . . 0.0 110.602 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.91 -42.3 90.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.684 -1.26 . . . . 0.0 109.978 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.16 -39.02 91.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.044 -1.035 . . . . 0.0 109.482 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.188 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.55 -19.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 109.191 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.29 -2.06 58.39 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.82 2.03 36.75 Favored Glycine 0 N--CA 1.505 3.278 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.538 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -102.09 75.49 1.52 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.878 -1.366 . . . . 0.0 108.196 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -78.81 -12.37 60.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.528 -0.732 . . . . 0.0 110.757 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.69 159.48 42.0 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.981 -1.074 . . . . 0.0 110.137 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.25 90.3 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -57.22 -18.42 15.84 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.239 -1.538 . . . . 0.0 111.459 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.97 -33.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.494 -1.379 . . . . 0.0 108.461 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.29 -39.9 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.97 -38.49 82.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.71 -41.58 90.33 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.09 -42.81 95.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -1.176 . . . . 0.0 108.995 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.19 -0.944 . . . . 0.0 109.021 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.39 -38.76 78.13 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.22 -22.52 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.33 13.54 15.18 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.066 -1.021 . . . . 0.0 110.92 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.49 39.58 13.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.581 -1.325 . . . . 0.0 109.977 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.04 19.99 9.15 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.227 -0.921 . . . . 0.0 110.778 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -66.91 106.95 2.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.387 -1.446 . . . . 0.0 108.122 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.2 -40.64 98.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.397 -0.815 . . . . 0.0 112.426 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.2 m-20 -69.54 -39.31 77.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.764 -1.21 . . . . 0.0 109.993 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.02 -38.85 76.02 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.038 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -63.58 -50.08 70.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.195 -0.941 . . . . 0.0 109.974 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.4 mtm180 -61.4 -45.63 93.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.42 -0.8 . . . . 0.0 110.887 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.64 -36.66 83.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.108 . . . . 0.0 108.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.7 t90 -63.76 -46.44 85.3 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.936 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.94 -48.29 63.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.188 -0.945 . . . . 0.0 111.112 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.38 -49.06 78.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 110.576 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.02 -26.11 63.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 110.013 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 54.7 m -80.46 -34.21 36.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 110.902 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.61 -31.84 1.76 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.649 -1.282 . . . . 0.0 111.661 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.1 15.88 13.55 Favored Glycine 0 N--CA 1.499 2.894 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.78 2.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.126 -1.22 . . . . 0.0 109.622 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.71 172.12 8.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.235 -0.916 . . . . 0.0 110.196 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.7 75.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 110.868 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.28 73.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.696 -1.253 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.61 -40.03 88.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.328 -0.857 . . . . 0.0 110.322 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.1 m -64.11 -39.29 93.73 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.32 -0.862 . . . . 0.0 110.643 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -59.99 -38.22 81.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.71 -1.244 . . . . 0.0 109.593 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.74 -38.78 83.97 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.803 -1.185 . . . . 0.0 110.658 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.09 -39.92 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.9 -1.125 . . . . 0.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.66 -60.02 4.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.494 -1.379 . . . . 0.0 110.013 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.69 73.42 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.99 -50.15 44.47 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.172 -1.193 . . . . 0.0 109.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.74 -41.24 68.71 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.488 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.64 -40.7 95.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.363 -0.836 . . . . 0.0 110.726 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -70.19 -36.92 74.96 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.7 t90 -60.55 -45.99 91.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.52 -1.363 . . . . 0.0 108.512 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.03 -40.03 87.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.533 -0.729 . . . . 0.0 110.18 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -59.89 -31.22 69.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.067 -1.021 . . . . 0.0 109.982 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.31 -33.24 15.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.047 -1.033 . . . . 0.0 110.76 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 . . . . . 0 N--CA 1.503 2.189 0 O-C-N 121.277 -0.89 . . . . 0.0 112.067 -177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.75 -49.25 78.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 110.446 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.04 -30.98 68.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.117 -0.989 . . . . 0.0 110.281 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.46 -40.04 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.918 . . . . 0.0 110.21 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -67.21 -42.24 84.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.89 14.89 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.085 -1.01 . . . . 0.0 110.007 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.88 -9.74 13.62 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.453 -0.779 . . . . 0.0 110.505 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.57 153.07 28.54 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 120.857 -1.152 . . . . 0.0 109.905 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -42.7 160.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 121.8 1.667 . . . . 0.0 111.405 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.3 ptp -89.18 -20.04 24.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 109.398 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.62 -142.62 11.46 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.8 29.04 5.63 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -1.001 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.68 88.77 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.045 -1.035 . . . . 0.0 108.449 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.38 159.48 50.05 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.353 2.035 . . . . 0.0 112.78 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' B' ' 22' ' ' SER . 5.4 p -55.75 -46.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.691 -0.631 . . . . 0.0 111.02 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.56 -2.99 0.35 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.475 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.6 m -81.01 -18.11 47.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.724 -1.456 . . . . 0.0 109.611 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.79 136.42 56.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.147 -0.97 . . . . 0.0 109.791 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.3 139.72 58.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.644 0.735 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.31 60.14 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 26' ' ' ILE . 33.2 mm -97.43 118.14 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.72 169.38 40.73 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.98 -39.95 75.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -1.057 . . . . 0.0 110.168 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.49 -42.54 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.975 -1.078 . . . . 0.0 109.459 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.9 -38.67 86.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.298 -0.876 . . . . 0.0 109.68 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.89 96.29 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.2 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.276 -1.131 . . . . 0.0 110.629 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.83 -42.47 90.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.635 -1.291 . . . . 0.0 109.912 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.05 -39.01 90.9 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.188 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.52 -19.28 63.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.24 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.31 -2.05 58.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.567 -0.708 . . . . 0.0 110.082 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.79 1.92 36.82 Favored Glycine 0 N--CA 1.504 3.193 0 O-C-N 121.1 -1.0 . . . . 0.0 111.606 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -101.95 75.5 1.54 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.983 -1.304 . . . . 0.0 108.181 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -78.82 -12.41 60.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 110.745 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.66 159.5 41.95 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.979 -1.076 . . . . 0.0 110.134 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.18 90.74 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -57.3 -18.39 16.55 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.281 -1.512 . . . . 0.0 111.412 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -80.01 -33.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.555 -1.341 . . . . 0.0 108.42 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.21 -40.0 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 tp -60.03 -38.37 82.5 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.61 90.28 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.08 -42.83 95.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -1.216 . . . . 0.0 108.926 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.253 -0.904 . . . . 0.0 109.063 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.45 -38.84 77.98 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.745 -0.782 . . . . 0.0 108.895 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -22.65 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.348 -0.845 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.31 13.59 14.99 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.131 -0.981 . . . . 0.0 110.865 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.5 39.51 13.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.611 -1.306 . . . . 0.0 110.004 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.05 19.96 9.13 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.296 -0.877 . . . . 0.0 110.798 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.82 106.88 2.0 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.358 -1.464 . . . . 0.0 108.175 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -40.71 98.41 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.373 -0.829 . . . . 0.0 112.445 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.494 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.2 m-20 -69.4 -39.37 77.97 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.765 -1.209 . . . . 0.0 110.089 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.96 -38.87 76.22 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.059 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.66 -49.99 71.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.925 . . . . 0.0 109.957 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.4 mtm180 -61.46 -45.66 93.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 110.797 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.55 -36.74 83.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.884 -1.135 . . . . 0.0 108.818 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.46 ' O ' ' OG1' ' B' ' 66' ' ' THR . 64.4 t90 -63.81 -46.34 85.58 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.0 -48.27 63.49 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.162 -0.961 . . . . 0.0 111.136 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.39 -49.2 77.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.051 -1.03 . . . . 0.0 110.555 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -69.86 -26.17 64.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.999 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 54.5 m -80.36 -34.41 36.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.046 -1.034 . . . . 0.0 110.879 -178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.4 -31.9 1.8 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.734 -1.229 . . . . 0.0 111.704 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.05 16.0 13.38 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.74 2.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.107 -1.231 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.64 172.13 8.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.234 -0.916 . . . . 0.0 110.221 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.68 75.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.541 -0.725 . . . . 0.0 110.921 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.18 73.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.575 -1.328 . . . . 0.0 110.088 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.65 -39.98 88.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 110.389 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 66.1 m -64.22 -39.22 93.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.354 -0.841 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -60.02 -38.17 81.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.787 -1.195 . . . . 0.0 109.631 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.8 -38.71 83.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.76 -1.213 . . . . 0.0 110.74 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -66.99 -40.05 87.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.793 -1.192 . . . . 0.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.64 -59.99 4.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.53 -1.356 . . . . 0.0 109.978 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -31.7 73.32 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 -50.14 44.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.858 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.7 -41.25 68.84 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.519 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.63 -40.8 96.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 110.631 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -70.04 -37.04 75.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.564 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.6 t90 -60.53 -46.04 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.582 -1.324 . . . . 0.0 108.482 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' B' ' 89' ' ' LEU . 88.5 m -59.96 -40.09 87.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 0.0 110.173 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.8 -31.3 69.58 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.041 -1.037 . . . . 0.0 109.971 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.3 -33.18 15.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.153 -0.967 . . . . 0.0 110.758 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.9 m-85 -111.05 2.77 18.14 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.281 -0.887 . . . . 0.0 112.003 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 85' ' ' CYS . 6.6 tp . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.77 -1.206 . . . . 0.0 109.219 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.238 0.542 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.512 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.8 t60 -58.45 -49.97 75.4 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.964 -1.085 . . . . 0.0 110.089 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 83.9 mtm180 -69.97 -32.72 71.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.251 -0.906 . . . . 0.0 110.302 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.34 -39.94 95.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 108.556 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -61.42 -52.39 64.75 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.92 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.79 5.79 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.238 -0.914 . . . . 0.0 111.959 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -99.51 -21.0 16.12 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.881 -1.137 . . . . 0.0 109.359 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.87 152.02 36.21 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 159.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.592 1.528 . . . . 0.0 111.099 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.4 ptp -87.42 -23.85 24.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.869 -1.144 . . . . 0.0 108.837 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.91 -141.53 14.6 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.77 30.09 5.34 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.923 . . . . 0.0 110.41 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -60.01 147.97 78.6 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.9 153.97 75.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.557 2.171 . . . . 0.0 113.573 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.49 -32.27 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.33 0.586 . . . . 0.0 110.367 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.39 -4.43 51.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -83.52 -18.81 37.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.858 -1.378 . . . . 0.0 109.336 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.4 134.16 55.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 109.778 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -63.91 134.03 54.36 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.688 0.756 . . . . 0.0 109.874 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.72 -19.4 52.52 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 26' ' ' ILE . 31.7 mm -99.03 118.78 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.15 -1.206 . . . . 0.0 108.466 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.53 175.38 39.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.06 -40.05 80.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -1.052 . . . . 0.0 111.05 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.68 -41.48 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.754 -1.216 . . . . 0.0 109.356 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.02 -37.32 83.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.05 96.47 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.99 -40.07 96.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.381 -1.07 . . . . 0.0 110.707 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.04 -43.01 79.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.549 -1.344 . . . . 0.0 110.13 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.56 -39.01 89.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.893 -1.13 . . . . 0.0 108.429 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.91 -41.14 91.05 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.384 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.26 -19.59 65.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 108.686 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -90.64 1.91 56.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.52 -0.738 . . . . 0.0 109.863 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 39.02 4.06 Favored Glycine 0 N--CA 1.498 2.808 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.952 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.16 71.41 1.47 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.989 -1.301 . . . . 0.0 108.687 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -80.99 -13.17 59.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.941 . . . . 0.0 110.409 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -130.07 151.04 51.05 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.273 -0.892 . . . . 0.0 109.589 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.0 93.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.582 -0.699 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -58.28 -19.15 32.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.597 -1.314 . . . . 0.0 110.765 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -78.09 -32.58 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -75.95 -36.32 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.92 -38.24 81.78 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.45 98.24 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -43.6 94.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.911 -1.347 . . . . 0.0 108.843 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.98 -40.31 88.69 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -0.792 . . . . 0.0 109.101 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.13 -37.77 81.48 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.89 -29.25 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.466 -0.771 . . . . 0.0 110.445 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.66 11.84 10.02 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.015 . . . . 0.0 110.296 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 47.93 38.7 9.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.793 -1.192 . . . . 0.0 109.957 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 60.02 20.64 9.77 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.667 -0.646 . . . . 0.0 110.706 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.25 105.52 2.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.454 -1.404 . . . . 0.0 108.18 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.44 -40.04 94.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.462 -0.773 . . . . 0.0 112.349 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.26 -39.3 78.53 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.708 -1.245 . . . . 0.0 110.216 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.98 -37.81 75.85 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.27 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -63.85 -43.64 95.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.89 -47.72 84.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.999 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.44 -39.68 94.14 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.674 -1.266 . . . . 0.0 109.074 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 66' ' ' THR . 70.6 t90 -64.5 -47.98 76.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 111.5 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.19 -46.2 71.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.053 -1.03 . . . . 0.0 110.913 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.84 -42.06 95.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.012 -1.055 . . . . 0.0 109.762 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.02 -31.76 69.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.496 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 94.0 m -76.89 -36.84 56.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.427 -0.796 . . . . 0.0 111.147 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.2 p -131.92 -36.75 1.18 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.648 -1.282 . . . . 0.0 111.859 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.29 18.47 6.68 Favored Glycine 0 N--CA 1.503 3.116 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.59 152.14 5.34 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.078 -1.248 . . . . 0.0 110.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -90.95 169.97 10.45 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.791 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.98 70.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.469 -0.769 . . . . 0.0 111.003 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.04 -41.62 74.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.734 -1.229 . . . . 0.0 110.08 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.17 -37.02 83.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.4 -0.813 . . . . 0.0 110.603 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -67.12 -37.71 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 110.088 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -59.89 -38.96 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.887 -1.133 . . . . 0.0 109.582 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -67.02 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.801 -1.187 . . . . 0.0 110.535 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 93.3 m -68.94 -40.01 79.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.725 -1.234 . . . . 0.0 110.496 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.24 -60.43 3.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.681 -1.262 . . . . 0.0 110.193 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.69 72.81 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.24 -51.04 41.57 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.104 -1.233 . . . . 0.0 109.977 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -70.72 -40.24 72.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.864 -1.148 . . . . 0.0 109.774 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.39 -42.19 99.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.123 -0.986 . . . . 0.0 110.651 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 98.4 mt-10 -70.0 -36.09 74.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.048 -1.033 . . . . 0.0 110.584 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.554 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.0 t90 -58.92 -39.69 82.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.39 -1.444 . . . . 0.0 107.828 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.51 -39.95 92.84 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.25 -37.46 83.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.558 -0.714 . . . . 0.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.2 -40.08 14.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.068 -1.02 . . . . 0.0 110.588 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.201 -0.937 . . . . 0.0 110.213 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.138 0.494 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.507 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.8 t60 -58.42 -49.98 75.33 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.019 . . . . 0.0 110.113 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 83.9 mtm180 -69.98 -32.8 71.19 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.22 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.0 108.611 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.33 -52.45 64.64 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.999 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.64 5.47 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.248 -0.908 . . . . 0.0 111.967 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 8' ' ' ARG . . . -99.28 -20.96 16.29 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.893 -1.13 . . . . 0.0 109.292 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.84 152.07 36.41 Favored Pre-proline 0 C--N 1.302 -1.479 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.2 158.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.581 1.521 . . . . 0.0 111.026 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.4 ptp -87.39 -23.79 24.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.898 -1.126 . . . . 0.0 108.787 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.94 -141.38 15.06 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -104.07 30.08 5.46 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.967 . . . . 0.0 110.3 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -59.98 147.89 78.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.9 153.98 75.88 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.538 2.159 . . . . 0.0 113.554 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.45 -32.3 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 121.347 0.594 . . . . 0.0 110.467 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.3 -4.64 51.54 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -83.27 -18.92 37.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.95 -1.323 . . . . 0.0 109.396 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.31 134.15 55.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.829 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.495 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -63.81 134.05 54.54 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.55 0.691 . . . . 0.0 109.92 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.82 -19.59 51.59 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.13 118.95 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.532 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.67 175.46 38.82 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.17 -39.99 80.28 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.379 -1.071 . . . . 0.0 111.085 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.57 -41.45 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 109.525 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.16 -37.24 83.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 109.497 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.92 96.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.16 -39.69 95.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.203 -1.175 . . . . 0.0 110.776 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.581 -1.325 . . . . 0.0 110.134 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.65 -39.04 89.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.919 -1.113 . . . . 0.0 108.329 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.03 -40.95 91.11 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.378 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.3 -19.64 65.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.255 -0.903 . . . . 0.0 108.771 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -90.45 1.64 56.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.54 -0.725 . . . . 0.0 109.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 39.01 4.02 Favored Glycine 0 N--CA 1.5 2.903 0 O-C-N 121.119 -0.988 . . . . 0.0 110.962 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -133.08 71.32 1.47 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.964 -1.315 . . . . 0.0 108.759 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -80.73 -13.3 59.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 110.475 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.95 151.0 50.99 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.171 -0.956 . . . . 0.0 109.621 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.92 93.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.602 -0.687 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -58.32 -18.79 29.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.737 -1.227 . . . . 0.0 110.862 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.3 -32.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.96 -36.29 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.06 -38.03 81.63 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.34 98.29 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -43.72 94.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.852 -1.381 . . . . 0.0 108.838 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.01 -40.34 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.742 . . . . 0.0 109.096 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.11 -37.7 81.44 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.04 -29.22 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.396 -0.815 . . . . 0.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.58 11.59 10.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 48.18 38.46 9.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.757 -1.214 . . . . 0.0 110.053 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.98 21.08 10.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.644 -0.66 . . . . 0.0 110.692 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.49 105.14 2.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.468 -1.395 . . . . 0.0 108.141 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.07 -40.11 95.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.407 -0.808 . . . . 0.0 112.318 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.27 -39.46 78.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.795 -1.191 . . . . 0.0 110.178 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.98 -37.85 75.85 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.2 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -63.75 -43.65 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 109.801 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -59.96 -47.27 86.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.857 . . . . 0.0 111.101 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.86 -39.72 95.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.568 -1.333 . . . . 0.0 108.968 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.447 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.5 t90 -64.4 -48.05 76.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 111.438 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.21 -46.0 71.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.002 -1.061 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.91 -42.1 95.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 109.761 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.91 -32.09 70.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.452 -0.78 . . . . 0.0 109.38 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.3 m -76.62 -37.18 56.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.395 -0.815 . . . . 0.0 111.177 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.1 p -131.75 -36.49 1.22 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.674 -1.266 . . . . 0.0 111.914 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.15 18.39 6.79 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 152.09 5.26 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.097 -1.237 . . . . 0.0 110.068 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.98 170.09 10.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.709 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.01 70.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.462 -0.774 . . . . 0.0 110.947 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.12 -41.49 73.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.687 -1.258 . . . . 0.0 110.091 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.08 -37.24 83.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.338 -0.851 . . . . 0.0 110.618 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -66.89 -37.7 84.88 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.092 -1.005 . . . . 0.0 110.222 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -60.05 -39.04 84.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.437 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.93 -39.85 87.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.758 -1.214 . . . . 0.0 110.528 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 93.4 m -68.93 -40.02 79.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.715 -1.241 . . . . 0.0 110.521 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.11 -60.59 3.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.654 -1.279 . . . . 0.0 110.162 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -31.75 72.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.03 -51.08 42.8 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.048 -1.266 . . . . 0.0 110.02 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.69 -40.44 72.9 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.756 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.18 -42.28 99.13 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.068 -1.02 . . . . 0.0 110.635 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.507 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 98.5 mt-10 -69.91 -36.17 75.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.037 -1.039 . . . . 0.0 110.657 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.3 t90 -58.95 -39.66 82.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.318 -1.489 . . . . 0.0 107.768 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 63.4 m -61.54 -40.07 93.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.85 83.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.472 -0.768 . . . . 0.0 110.363 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -39.88 15.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.076 -1.015 . . . . 0.0 110.606 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.4 m-85 -103.97 -85.78 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.907 -1.121 . . . . 0.0 109.15 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.916 0.388 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -58.9 -50.16 75.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.992 -1.068 . . . . 0.0 110.065 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' A' ' 8' ' ' ARG . 21.8 mmm-85 -69.96 -33.26 71.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.243 -0.911 . . . . 0.0 110.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.12 -38.83 75.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -65.28 -45.28 85.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 110.074 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.104 -0.997 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.37 -11.47 15.53 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.406 -0.809 . . . . 0.0 110.607 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -153.98 151.85 25.52 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 109.336 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -40.16 162.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.258 0 C-N-CA 121.956 1.77 . . . . 0.0 111.854 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -89.84 -25.99 20.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.87 -138.77 29.56 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.53 29.67 6.34 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.49 -1.006 . . . . 0.0 110.366 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -60.86 149.53 80.21 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.976 -1.078 . . . . 0.0 108.703 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.07 156.83 64.6 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.399 2.066 . . . . 0.0 112.8 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 22' ' ' SER . 4.4 p -55.14 -44.64 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.749 -0.595 . . . . 0.0 110.63 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.39 -4.24 0.8 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 20' ' ' VAL . 67.6 m -80.99 -20.59 41.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.758 -1.436 . . . . 0.0 109.446 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.21 136.64 57.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 110.012 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 136.94 57.43 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.21 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.91 -18.01 56.46 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.9 117.01 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.364 -1.08 . . . . 0.0 108.093 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.06 174.34 38.76 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.05 -40.14 80.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -1.093 . . . . 0.0 110.586 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -42.02 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.829 -1.169 . . . . 0.0 109.528 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.49 -38.15 83.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.294 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.94 -37.2 92.27 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.85 -40.02 95.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.359 -1.083 . . . . 0.0 110.658 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.63 -44.04 83.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.544 -1.347 . . . . 0.0 109.689 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.912 -1.117 . . . . 0.0 109.236 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.11 -41.58 96.95 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.652 -0.655 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.08 -21.96 65.85 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 109.624 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.11 2.41 55.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.192 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.61 3.85 32.42 Favored Glycine 0 N--CA 1.506 3.342 0 O-C-N 120.832 -1.168 . . . . 0.0 112.105 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.09 74.51 1.21 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.731 -1.452 . . . . 0.0 108.852 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -80.14 -10.74 59.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.705 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -137.03 158.17 45.07 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.966 -1.084 . . . . 0.0 110.459 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -40.55 89.48 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.79 -18.75 34.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.219 -1.551 . . . . 0.0 110.99 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -79.15 -35.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.556 -1.34 . . . . 0.0 107.926 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.07 -39.4 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -59.97 -39.02 84.24 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.57 -43.83 53.32 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.12 -40.89 91.27 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.211 -1.17 . . . . 0.0 108.862 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.4 -39.9 88.99 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.211 -0.93 . . . . 0.0 108.526 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.6 mt -67.36 -39.75 85.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.78 -31.18 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.432 -0.792 . . . . 0.0 110.597 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.55 15.55 7.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 110.097 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 48.06 39.35 11.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.939 -1.101 . . . . 0.0 110.296 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 60.06 20.01 9.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.456 -0.777 . . . . 0.0 110.66 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.38 114.31 5.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.646 -1.284 . . . . 0.0 108.187 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.99 -42.66 94.31 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.0 m-20 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.446 -1.409 . . . . 0.0 110.678 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.74 -38.86 76.98 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.034 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.64 -49.97 71.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.175 -0.953 . . . . 0.0 109.954 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 82.4 mtm180 -60.05 -43.77 95.15 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.249 -0.907 . . . . 0.0 110.491 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.59 -37.48 87.47 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.958 -1.089 . . . . 0.0 108.929 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.463 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -63.92 -47.32 81.0 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.435 -0.791 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.26 -48.29 65.47 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 110.572 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.1 -47.29 86.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.156 -0.965 . . . . 0.0 109.914 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.9 t0 -69.22 -29.74 67.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.526 -0.734 . . . . 0.0 109.563 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -78.8 -35.21 44.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 0.0 111.137 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.42 -28.95 2.04 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.12 14.6 22.16 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.87 1.64 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.159 -1.2 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -90.67 172.43 8.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.059 -1.026 . . . . 0.0 110.203 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.53 75.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.645 -0.659 . . . . 0.0 110.468 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.07 -40.37 71.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.786 -1.196 . . . . 0.0 109.742 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.68 -38.36 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.398 -0.814 . . . . 0.0 110.422 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -66.42 -38.55 87.7 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.062 -1.024 . . . . 0.0 110.275 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.01 -37.08 78.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.858 -1.151 . . . . 0.0 109.467 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.0 -38.8 83.06 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.769 -1.207 . . . . 0.0 110.448 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.4 -39.94 81.47 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.805 -1.184 . . . . 0.0 109.908 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.99 -60.9 3.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.807 -1.183 . . . . 0.0 110.147 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.16 -33.05 82.76 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.0 t -69.81 -48.96 57.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.99 -40.04 75.56 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.763 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -61.9 -39.99 93.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.165 -0.96 . . . . 0.0 109.897 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -69.04 -39.0 79.46 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 110.409 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.8 t90 -60.7 -44.59 96.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.37 -1.456 . . . . 0.0 108.495 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.2 m -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.923 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.62 -32.73 70.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 110.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.16 -33.22 14.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.195 -0.941 . . . . 0.0 111.378 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.9 m-85 . . . . . 0 N--CA 1.504 2.272 0 O-C-N 121.192 -0.942 . . . . 0.0 112.617 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.958 0.408 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -58.76 -50.13 75.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.128 . . . . 0.0 110.151 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' B' ' 8' ' ' ARG . 21.8 mmm-85 -70.04 -33.2 71.66 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.17 -0.956 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -38.91 75.91 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.334 -0.854 . . . . 0.0 110.093 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.26 -45.19 85.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 110.036 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 109.803 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.57 -11.23 15.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.413 -0.804 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.07 151.73 25.14 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.882 -1.136 . . . . 0.0 109.357 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -40.24 162.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 121.929 1.753 . . . . 0.0 111.888 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -89.87 -25.65 20.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.45 -138.8 27.71 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.34 29.63 6.3 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.456 -1.026 . . . . 0.0 110.426 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -60.72 149.43 79.54 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 108.755 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.87 156.75 64.72 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.468 2.112 . . . . 0.0 112.885 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 4.3 p -55.06 -44.83 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.636 -0.665 . . . . 0.0 110.562 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.22 -4.19 0.74 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 67.0 m -81.19 -20.52 41.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.822 -1.399 . . . . 0.0 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 136.7 57.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.951 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 136.9 57.37 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.241 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.84 -17.75 56.9 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.8 mm -99.02 116.9 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.308 -1.113 . . . . 0.0 108.103 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.95 174.23 38.82 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.87 -40.35 79.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 0.0 110.55 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -41.95 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.78 -1.2 . . . . 0.0 109.582 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.38 -38.24 84.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 109.323 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.31 92.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.64 -39.9 95.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.49 -1.006 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.72 -44.0 82.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.584 -1.323 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.53 -40.11 95.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.852 -1.155 . . . . 0.0 109.225 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.4 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.87 -22.05 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.229 -0.919 . . . . 0.0 109.559 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.1 2.54 55.15 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.286 -0.884 . . . . 0.0 111.244 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 3.99 32.77 Favored Glycine 0 N--CA 1.506 3.355 0 O-C-N 120.907 -1.121 . . . . 0.0 112.127 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.22 74.46 1.19 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.729 -1.454 . . . . 0.0 108.854 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -80.06 -10.69 59.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.415 -0.803 . . . . 0.0 110.782 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -137.06 158.18 45.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.02 -1.05 . . . . 0.0 110.523 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.67 89.84 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.69 -18.93 35.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.279 -1.513 . . . . 0.0 110.998 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.95 -35.06 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.635 -1.29 . . . . 0.0 107.942 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.15 -39.34 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.96 -39.14 84.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.34 -43.95 52.08 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.07 -40.85 90.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.217 -1.167 . . . . 0.0 108.815 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -60.46 -39.74 88.66 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.9 mt -67.45 -39.88 85.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.74 -31.03 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.425 -0.797 . . . . 0.0 110.548 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 15.86 7.62 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.128 -0.982 . . . . 0.0 110.049 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 47.78 39.33 10.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.934 -1.104 . . . . 0.0 110.328 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.0 19.99 9.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.436 -0.79 . . . . 0.0 110.69 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.28 114.41 5.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.548 -1.345 . . . . 0.0 108.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.05 -42.66 94.04 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 95.9 m-20 -70.01 -39.97 75.53 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.564 -1.335 . . . . 0.0 110.64 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.87 -38.83 76.54 Favored 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.017 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.59 -49.92 71.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 110.04 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.47 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.4 mtm180 -60.04 -43.9 95.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.229 -0.919 . . . . 0.0 110.474 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.43 -37.48 87.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.945 -1.097 . . . . 0.0 108.93 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.426 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.9 t90 -64.11 -47.15 81.11 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.487 -0.758 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.31 -48.27 65.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 110.539 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.11 -47.08 87.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.977 . . . . 0.0 109.905 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 38.4 t0 -69.59 -29.57 67.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.452 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 49.9 m -78.78 -35.27 44.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 111.094 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.35 -29.18 2.03 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.684 -1.26 . . . . 0.0 111.952 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.15 14.77 21.7 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.93 153.8 1.68 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.099 -1.236 . . . . 0.0 109.447 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -90.64 172.4 8.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.992 -1.068 . . . . 0.0 110.146 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.43 75.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.566 -0.709 . . . . 0.0 110.362 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.21 -40.36 71.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.762 -1.211 . . . . 0.0 109.765 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.64 -38.41 83.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.446 -0.784 . . . . 0.0 110.45 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.0 p -66.35 -38.61 88.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.176 -0.952 . . . . 0.0 110.233 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -60.02 -37.09 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.832 -1.167 . . . . 0.0 109.508 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.0 -38.8 83.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.7 -1.25 . . . . 0.0 110.414 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.35 -39.97 81.66 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.726 -1.234 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.1 -60.77 3.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.821 -1.174 . . . . 0.0 110.196 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.03 82.89 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.61 -49.16 56.63 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.128 -1.219 . . . . 0.0 109.97 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.93 -39.98 75.81 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.896 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -61.8 -40.0 93.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.3 -0.875 . . . . 0.0 109.929 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.11 -39.03 79.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.149 -0.969 . . . . 0.0 110.364 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.8 t90 -60.73 -44.55 96.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.389 -1.444 . . . . 0.0 108.535 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' B' ' 89' ' ' LEU . 56.8 m -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.48 -0.762 . . . . 0.0 109.888 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.68 -32.76 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.267 -0.895 . . . . 0.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.13 -33.3 14.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.243 -0.91 . . . . 0.0 111.371 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.2 m-85 -111.72 0.03 16.14 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.256 -0.902 . . . . 0.0 112.58 -177.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 85' ' ' CYS . 10.6 tp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 120.726 -1.233 . . . . 0.0 109.292 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.509 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 71.0 t60 -59.39 -51.02 71.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.097 -1.002 . . . . 0.0 110.847 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -69.9 -31.98 70.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 109.883 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -70.43 -39.94 74.09 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.453 -0.779 . . . . 0.0 110.135 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -43.32 84.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.198 -0.939 . . . . 0.0 110.504 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.0 14.63 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.914 -1.116 . . . . 0.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 -11.09 12.02 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.538 -0.726 . . . . 0.0 110.76 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.81 152.45 27.01 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 120.821 -1.175 . . . . 0.0 109.282 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -41.98 161.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.917 1.745 . . . . 0.0 112.087 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.88 -20.62 22.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.79 -140.53 15.77 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -105.15 28.34 7.36 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.511 -0.993 . . . . 0.0 110.22 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.81 148.52 82.68 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 120.852 -1.155 . . . . 0.0 108.488 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.9 156.48 61.98 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.408 2.072 . . . . 0.0 112.473 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.4 p -54.26 -43.95 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.633 -0.667 . . . . 0.0 110.39 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.97 -4.57 0.45 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 20' ' ' VAL . 52.5 m -81.86 -19.71 40.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.707 -1.466 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.94 136.75 57.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.86 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 136.03 56.65 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.869 -0.733 . . . . 0.0 109.649 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.64 -16.26 58.93 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.14 117.57 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.188 -1.184 . . . . 0.0 108.208 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.59 173.18 36.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.28 -40.01 73.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -1.053 . . . . 0.0 110.664 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.03 -41.62 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.41 -38.25 84.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.66 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.84 93.43 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -65.84 -39.92 91.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.299 -1.118 . . . . 0.0 110.951 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -66.96 -42.51 85.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.656 -1.278 . . . . 0.0 109.532 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.64 -39.9 95.51 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.033 -1.042 . . . . 0.0 109.276 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.0 -40.2 88.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.665 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.11 -19.29 65.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 109.008 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.17 2.46 56.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.437 -0.789 . . . . 0.0 110.519 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.62 5.91 44.59 Favored Glycine 0 N--CA 1.503 3.145 0 O-C-N 121.052 -1.03 . . . . 0.0 111.924 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.68 73.91 1.11 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.731 -1.452 . . . . 0.0 109.018 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 30.2 p-10 -81.81 -12.52 58.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 109.898 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.3 151.39 50.86 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.19 90.58 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.413 -0.804 . . . . 0.0 112.022 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -58.37 -19.28 34.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.545 -1.347 . . . . 0.0 110.69 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -79.18 -32.95 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.676 -1.265 . . . . 0.0 107.744 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.86 -38.76 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.6 tp -59.92 -37.06 78.37 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.88 95.44 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.14 -45.29 93.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.035 -1.273 . . . . 0.0 109.556 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 108.688 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.2 -39.14 82.51 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.8 -0.76 . . . . 0.0 108.99 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.96 -25.73 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 110.503 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.09 16.6 6.91 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.443 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.3 33.4 7.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.985 -1.072 . . . . 0.0 109.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 7.8 mtmp? 60.69 20.79 10.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.403 -0.811 . . . . 0.0 110.453 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -66.37 114.76 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.66 -1.275 . . . . 0.0 107.878 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.46 -41.24 96.63 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.3 -0.875 . . . . 0.0 112.405 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.22 -40.03 78.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.555 -1.341 . . . . 0.0 109.784 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.98 -40.05 75.57 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.149 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -64.96 -50.04 67.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.193 -0.942 . . . . 0.0 109.673 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -60.03 -46.32 89.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.81 -36.23 82.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.832 -1.168 . . . . 0.0 108.836 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.467 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.09 -46.61 83.47 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.389 -0.819 . . . . 0.0 111.102 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -70.13 -50.69 38.05 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.25 -47.04 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.036 -1.04 . . . . 0.0 110.019 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.79 65.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 0.0 109.728 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 49.0 m -81.05 -33.44 33.48 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.189 -0.945 . . . . 0.0 111.622 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 29.9 p -131.47 -28.4 1.86 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.414 -1.429 . . . . 0.0 112.059 -177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.86 14.31 21.45 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.6 153.25 2.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.302 . . . . 0.0 109.021 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -90.26 171.44 9.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 110.273 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.81 73.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.714 -0.616 . . . . 0.0 110.168 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.32 -41.57 73.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.772 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 110.535 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.0 m -64.71 -39.98 94.57 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.108 -0.995 . . . . 0.0 110.692 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.37 -37.32 80.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.762 -1.211 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -67.46 -39.95 85.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.636 -1.29 . . . . 0.0 111.032 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.86 -39.96 79.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.888 -1.133 . . . . 0.0 110.855 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.44 -60.59 3.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.537 -1.352 . . . . 0.0 110.098 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.24 -30.66 71.36 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.3 t -69.02 -51.32 40.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -1.205 . . . . 0.0 109.796 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.17 -40.44 71.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.01 -1.056 . . . . 0.0 109.371 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.34 -40.68 95.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.798 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 93.6 mt-10 -69.98 -37.75 75.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 110.515 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.599 -1.313 . . . . 0.0 109.185 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.0 m -60.95 -40.02 91.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.175 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.32 -28.11 67.87 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.707 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.66 12.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.25 -0.906 . . . . 0.0 111.295 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.8 m-85 . . . . . 0 N--CA 1.505 2.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.048 0.452 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.508 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 71.0 t60 -59.65 -50.92 72.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.149 -0.97 . . . . 0.0 110.823 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -70.04 -31.81 69.63 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.919 -1.113 . . . . 0.0 109.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.56 -39.88 73.68 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.594 -0.691 . . . . 0.0 110.016 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.69 -43.34 84.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -0.944 . . . . 0.0 110.498 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.02 14.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.949 -1.095 . . . . 0.0 109.394 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.45 -11.15 11.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.576 -0.703 . . . . 0.0 110.723 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.73 152.48 27.2 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 120.889 -1.132 . . . . 0.0 109.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.06 161.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.913 1.742 . . . . 0.0 112.116 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.96 -20.42 22.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.235 -0.916 . . . . 0.0 109.403 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.47 -140.62 13.91 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.04 28.51 7.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.456 -1.026 . . . . 0.0 110.23 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -61.09 148.57 84.26 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 120.875 -1.141 . . . . 0.0 108.458 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.0 156.46 62.49 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.36 2.04 . . . . 0.0 112.53 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.4 p -54.35 -43.72 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.586 -0.697 . . . . 0.0 110.409 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.18 -4.33 0.47 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 20' ' ' VAL . 52.5 m -81.99 -19.92 39.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.717 -1.461 . . . . 0.0 109.248 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.84 136.72 57.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.175 -0.953 . . . . 0.0 109.781 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.57 136.11 56.68 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.661 0.743 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.56 -16.31 58.96 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -99.09 117.52 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.129 -1.218 . . . . 0.0 108.221 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.16 36.9 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.4 -39.99 73.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -1.069 . . . . 0.0 110.674 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.98 -41.64 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.864 -1.147 . . . . 0.0 109.815 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.3 -38.38 84.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.324 -0.86 . . . . 0.0 109.625 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -37.95 93.51 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.67 -40.04 91.96 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 110.923 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -66.82 -42.49 85.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.673 -1.267 . . . . 0.0 109.619 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.75 -39.79 95.13 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.306 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.98 -40.26 88.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.756 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.03 -19.31 65.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.272 -0.893 . . . . 0.0 108.998 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.22 2.71 56.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.519 -0.738 . . . . 0.0 110.528 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.35 5.93 45.36 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 121.027 -1.046 . . . . 0.0 111.922 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.82 73.92 1.1 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.699 -1.471 . . . . 0.0 109.0 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 30.2 p-10 -81.91 -12.36 58.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.982 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.45 151.35 51.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.07 90.09 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.425 -0.797 . . . . 0.0 112.008 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -58.37 -19.4 35.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.447 -1.408 . . . . 0.0 110.638 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -79.13 -32.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.628 -1.295 . . . . 0.0 107.775 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.01 -38.66 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.92 -37.35 79.21 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.36 -41.11 94.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.07 -45.27 93.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.136 -1.214 . . . . 0.0 109.412 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.02 -39.94 87.58 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.856 . . . . 0.0 108.752 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.89 -25.58 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.221 -0.924 . . . . 0.0 110.627 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.26 16.8 6.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.953 -1.092 . . . . 0.0 109.469 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.0 33.57 6.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.025 . . . . 0.0 110.004 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.457 ' HZ1' ' CB ' ' B' ' 54' ' ' LYS . 7.8 mtmp? 60.73 20.45 10.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.464 -0.773 . . . . 0.0 110.461 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -66.13 114.83 5.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.708 -1.245 . . . . 0.0 107.805 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.45 -41.37 96.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.266 -0.896 . . . . 0.0 112.462 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.09 -39.99 78.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.516 -1.365 . . . . 0.0 109.803 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.05 -40.0 75.36 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.173 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.0 -50.03 67.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.666 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -60.07 -46.49 89.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.417 -0.802 . . . . 0.0 110.777 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.74 -36.06 81.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.888 -1.133 . . . . 0.0 108.768 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.455 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -64.3 -46.45 83.53 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.491 -0.756 . . . . 0.0 111.081 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -70.15 -50.73 37.47 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.049 -1.032 . . . . 0.0 110.308 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.22 -47.09 87.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.995 . . . . 0.0 110.034 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.81 65.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.855 . . . . 0.0 109.772 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 48.8 m -81.01 -33.39 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 111.732 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.451 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 29.7 p -131.34 -28.66 1.87 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.463 -1.398 . . . . 0.0 112.078 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.05 14.45 20.74 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.451 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -51.58 153.37 2.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.004 -1.292 . . . . 0.0 108.993 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -90.33 171.36 9.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.052 -1.03 . . . . 0.0 110.256 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.6 73.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.705 -0.622 . . . . 0.0 110.134 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -70.39 -41.63 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.876 -1.14 . . . . 0.0 109.768 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -40.02 84.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.264 -0.898 . . . . 0.0 110.468 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -64.54 -40.02 94.82 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.065 -1.022 . . . . 0.0 110.667 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.61 -37.11 80.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.777 -1.202 . . . . 0.0 110.151 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.62 -39.98 84.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.564 -1.335 . . . . 0.0 111.027 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.79 -40.03 79.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.833 -1.167 . . . . 0.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.54 -60.44 3.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.602 -1.312 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.35 -30.49 71.39 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.14 -51.19 40.8 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.285 -1.126 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.25 -40.2 71.15 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.436 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.54 -40.62 95.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 93.6 mt-10 -70.03 -37.85 75.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 110.47 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.6 t90 -62.74 -43.62 98.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.652 -1.28 . . . . 0.0 109.211 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.93 -40.05 91.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.256 -0.902 . . . . 0.0 110.176 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.26 -28.08 67.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.97 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.19 -35.75 12.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.182 -0.949 . . . . 0.0 111.174 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.37 -9.82 14.24 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 N--CA 1.505 2.32 0 O-C-N 120.243 -1.536 . . . . 0.0 109.457 -179.715 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.958 0.409 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.505 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 74.0 t60 -59.33 -49.61 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.953 -1.092 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.455 ' HG2' HH11 ' A' ' 8' ' ' ARG . 30.1 mtt-85 -69.85 -32.1 70.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.02 -39.93 72.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.409 -0.807 . . . . 0.0 110.173 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.63 -42.69 91.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.349 -0.845 . . . . 0.0 110.201 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.5 m -82.61 15.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.96 -8.88 12.48 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.588 -0.695 . . . . 0.0 110.39 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.09 154.09 28.22 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 120.814 -1.179 . . . . 0.0 109.716 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.92 162.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.097 1.865 . . . . 0.0 112.121 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 ptp -94.67 -21.84 18.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -139.78 34.43 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.51 30.33 5.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -1.059 . . . . 0.0 109.967 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.68 148.24 67.96 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 120.965 -1.084 . . . . 0.0 108.717 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.28 155.25 66.56 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.489 2.126 . . . . 0.0 112.579 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.4 p -52.8 -43.23 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.632 -0.667 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.89 -2.97 2.93 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 23' ' ' LEU . 33.5 p -82.11 -26.25 33.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.921 -1.341 . . . . 0.0 108.856 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 22' ' ' SER . 92.2 mt -61.03 138.88 58.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.645 0.736 . . . . 0.0 109.236 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -64.31 136.6 57.31 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.784 0.802 . . . . 0.0 110.136 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.98 51.38 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 26' ' ' ILE . 32.2 mm -99.02 119.98 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.127 -1.22 . . . . 0.0 108.393 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.69 176.26 37.88 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.676 -1.369 . . . . 0.0 109.676 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.49 -39.94 81.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.487 -1.008 . . . . 0.0 110.481 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.843 -1.161 . . . . 0.0 109.697 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.54 -36.62 84.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.621 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -39.92 96.93 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -62.97 -39.88 96.01 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.318 -1.107 . . . . 0.0 110.587 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -66.99 -47.58 71.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.763 -1.21 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.41 -39.92 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.109 -0.994 . . . . 0.0 108.483 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.07 -40.71 90.47 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.501 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.68 -20.98 65.36 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 0.0 108.877 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -89.81 3.06 54.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.72 5.28 45.11 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.985 -1.072 . . . . 0.0 111.965 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.87 75.61 1.2 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.715 -1.462 . . . . 0.0 109.157 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -83.5 -10.57 58.25 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 45.6 mmtm -130.89 152.34 50.33 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.125 -0.985 . . . . 0.0 109.489 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.63 93.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 111.271 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 24.7 p90 -58.64 -19.92 43.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.679 -1.263 . . . . 0.0 111.269 -177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -79.86 -33.72 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.462 -1.399 . . . . 0.0 107.919 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.99 -37.36 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.99 -37.91 81.02 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.5 -42.32 95.86 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.43 -44.97 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -1.232 . . . . 0.0 108.885 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.03 -38.62 82.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.0 -21.16 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.504 -0.747 . . . . 0.0 111.362 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.67 14.97 13.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.883 -1.136 . . . . 0.0 111.058 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.487 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.3 mttm 49.82 39.43 18.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.654 -1.278 . . . . 0.0 110.201 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.95 19.58 8.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.23 -0.919 . . . . 0.0 109.712 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -70.19 106.85 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.423 -1.423 . . . . 0.0 108.884 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.95 -39.98 95.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.504 -0.747 . . . . 0.0 112.151 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.1 m-20 -68.06 -39.94 82.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.444 -1.41 . . . . 0.0 109.741 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.02 -39.63 75.7 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.178 -1.009 . . . . 0.0 108.806 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.29 -49.94 67.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.0 mtm180 -60.19 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.117 -0.989 . . . . 0.0 110.918 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -64.58 -35.15 80.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.5 -1.375 . . . . 0.0 108.923 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.457 ' O ' ' OG1' ' A' ' 66' ' ' THR . 62.1 t90 -64.01 -47.83 78.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.13 -0.981 . . . . 0.0 110.95 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.44 -51.04 48.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.034 -1.041 . . . . 0.0 110.454 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -46.63 88.94 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.626 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.49 -29.06 66.63 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.451 -0.781 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.2 m -80.32 -32.4 37.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 111.239 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.63 -30.75 1.24 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.59 -1.319 . . . . 0.0 111.929 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.49 15.32 13.95 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.17 152.62 2.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.08 -1.247 . . . . 0.0 109.491 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -90.26 171.39 9.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.158 -0.964 . . . . 0.0 110.055 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -34.53 73.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.612 -0.68 . . . . 0.0 110.497 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.57 -40.92 73.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.874 -1.141 . . . . 0.0 109.908 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.39 -38.41 84.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.337 -0.852 . . . . 0.0 110.909 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.8 m -68.13 -37.71 81.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.18 -0.95 . . . . 0.0 110.282 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.99 -38.34 82.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.656 -1.277 . . . . 0.0 109.779 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.93 -39.34 79.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.656 -1.278 . . . . 0.0 111.085 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 80.8 m -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.553 -1.342 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.86 -59.78 4.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.548 -1.345 . . . . 0.0 110.253 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.75 -31.24 70.98 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.0 t -69.48 -48.76 59.69 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.221 -1.164 . . . . 0.0 110.092 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.0 -40.05 75.52 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.634 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -62.43 -40.11 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.289 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -69.94 -39.07 76.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.983 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -63.0 -46.24 88.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.357 -1.464 . . . . 0.0 109.293 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.5 m -60.98 -40.27 92.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 0.0 110.253 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.28 -27.29 65.7 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.058 -1.027 . . . . 0.0 109.138 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.9 -35.49 12.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.214 -0.929 . . . . 0.0 111.14 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 . . . . . 0 N--CA 1.506 2.342 0 O-C-N 121.23 -0.919 . . . . 0.0 113.038 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.012 0.434 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.509 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.9 t60 -59.35 -49.53 77.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 110.421 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' B' ' 8' ' ' ARG . 30.4 mtt-85 -69.95 -31.97 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.219 -0.926 . . . . 0.0 109.827 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.06 -39.94 71.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.378 -0.826 . . . . 0.0 110.158 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.75 -42.69 90.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 110.153 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.42 15.54 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.766 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.82 -8.76 12.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.561 -0.712 . . . . 0.0 110.325 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.17 154.03 28.01 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.88 -1.137 . . . . 0.0 109.744 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.93 162.32 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.119 1.879 . . . . 0.0 112.186 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -94.67 -21.82 18.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.152 -0.967 . . . . 0.0 110.321 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.7 -139.76 35.2 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.74 30.67 5.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.381 -1.07 . . . . 0.0 109.847 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.81 148.19 69.51 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 120.967 -1.083 . . . . 0.0 108.782 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.21 155.39 65.5 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.451 2.101 . . . . 0.0 112.634 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.4 p -52.93 -43.29 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.663 -0.648 . . . . 0.0 110.323 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.82 -3.0 2.89 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' B' ' 23' ' ' LEU . 33.7 p -81.93 -26.38 34.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.918 -1.342 . . . . 0.0 108.961 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.448 ' N ' ' HG ' ' B' ' 22' ' ' SER . 92.3 mt -60.93 138.98 58.13 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.611 0.72 . . . . 0.0 109.213 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.45 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -64.39 136.67 57.34 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.724 0.773 . . . . 0.0 110.107 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.55 -19.85 51.96 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.23 119.98 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.048 -1.266 . . . . 0.0 108.376 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.63 176.31 38.03 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 58.1 mp0 -58.37 -40.02 81.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.438 -1.037 . . . . 0.0 110.601 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.81 -44.35 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.948 -1.095 . . . . 0.0 109.752 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.5 -36.64 84.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 109.623 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.0 96.93 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.89 -39.98 96.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.202 -1.175 . . . . 0.0 110.54 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.03 -47.54 71.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.652 -1.28 . . . . 0.0 109.745 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -40.02 89.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.117 -0.99 . . . . 0.0 108.415 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.04 -40.63 90.07 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.538 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 108.818 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -89.8 2.8 54.48 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.766 . . . . 0.0 110.18 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 5.15 44.54 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.071 -1.018 . . . . 0.0 111.989 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.68 75.46 1.21 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.777 -1.425 . . . . 0.0 109.255 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.487 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 36.2 p-10 -83.41 -10.91 58.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.349 -0.844 . . . . 0.0 110.799 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 45.7 mmtm -130.61 152.45 49.97 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.66 93.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 111.271 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 23.8 p90 -58.64 -19.81 42.24 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.632 -1.293 . . . . 0.0 111.288 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 t -79.83 -33.75 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.395 -1.441 . . . . 0.0 107.997 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -75.99 -37.24 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -60.06 -37.83 81.03 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.19 95.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.71 -44.81 96.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.025 -1.279 . . . . 0.0 108.871 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.08 -38.34 82.25 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.17 -21.22 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.456 -0.777 . . . . 0.0 111.302 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -91.64 14.84 13.97 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.785 -1.197 . . . . 0.0 110.989 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 49.9 39.38 18.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.619 -1.3 . . . . 0.0 110.313 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.84 19.9 8.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 109.819 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -70.41 106.52 3.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.626 -1.296 . . . . 0.0 108.91 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.65 -40.01 95.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.1 m-20 -68.17 -39.96 82.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.585 -1.322 . . . . 0.0 109.724 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.97 -39.7 75.81 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.777 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.14 -49.92 68.0 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.766 . . . . 0.0 109.721 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.0 mtm180 -60.45 -47.83 84.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.184 -0.948 . . . . 0.0 110.99 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -64.79 -35.13 80.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.537 -1.352 . . . . 0.0 108.836 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.8 t90 -63.92 -47.96 78.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.38 -50.96 49.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.035 -1.041 . . . . 0.0 110.47 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.09 -46.69 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.331 -0.855 . . . . 0.0 109.661 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 -29.08 66.65 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.535 -0.728 . . . . 0.0 109.667 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 40.0 m -80.31 -32.28 38.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.85 . . . . 0.0 111.287 -178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.8 -30.61 1.23 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.57 -1.332 . . . . 0.0 111.926 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.42 15.13 14.41 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.08 152.51 2.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.181 -1.187 . . . . 0.0 109.587 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.14 171.45 9.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.133 -0.979 . . . . 0.0 110.169 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.75 73.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.536 -0.727 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.36 -40.77 73.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.832 -1.167 . . . . 0.0 110.023 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.47 -38.74 84.89 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.858 . . . . 0.0 110.748 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -67.85 -37.93 82.48 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 110.318 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.93 -38.42 82.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.69 -1.256 . . . . 0.0 109.737 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -68.75 -39.27 80.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.526 -1.359 . . . . 0.0 111.189 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 80.8 m -69.25 -40.07 78.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.54 -1.35 . . . . 0.0 110.657 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.69 -59.95 4.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.523 -1.361 . . . . 0.0 110.303 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.6 -31.31 70.6 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.44 -48.85 59.64 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.228 -1.16 . . . . 0.0 110.031 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.675 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.987 -1.07 . . . . 0.0 110.247 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -38.93 76.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 0.0 110.958 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -63.06 -46.3 88.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.464 -1.397 . . . . 0.0 109.266 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.1 m -61.12 -40.11 92.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.34 -27.36 65.86 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.77 -35.62 12.68 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.379 -0.826 . . . . 0.0 111.143 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.3 m-85 -111.64 -6.92 14.31 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.224 -0.923 . . . . 0.0 113.175 -176.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.7 tp . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.255 -1.528 . . . . 0.0 109.435 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.15 0.5 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.12 -50.0 75.73 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.068 -1.02 . . . . 0.0 110.349 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.02 -33.25 71.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.043 -1.036 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.6 -36.75 68.18 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.08 -41.47 86.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.193 -0.942 . . . . 0.0 110.136 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.62 17.06 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.19 -0.944 . . . . 0.0 109.91 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -6.07 10.02 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.556 -0.715 . . . . 0.0 110.226 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -152.69 151.27 26.45 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 120.89 -1.131 . . . . 0.0 109.638 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -43.3 159.03 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.905 1.737 . . . . 0.0 111.887 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.67 -27.1 16.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.059 -1.025 . . . . 0.0 109.401 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.93 -136.03 45.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.19 30.04 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.492 -1.005 . . . . 0.0 110.624 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.05 148.47 77.54 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 154.42 73.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.206 1.938 . . . . 0.0 112.67 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 22' ' ' SER . 12.0 p -53.34 -45.8 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.716 -0.615 . . . . 0.0 110.797 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' N ' ' CG1' ' A' ' 20' ' ' VAL . . . -58.96 -3.18 1.55 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.7 t -81.91 -21.12 37.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.947 -1.325 . . . . 0.0 108.803 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.29 139.98 58.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.473 -0.767 . . . . 0.0 109.247 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 134.82 56.03 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.355 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.96 -20.01 50.83 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.34 117.94 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.028 -1.278 . . . . 0.0 108.238 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.16 175.53 36.48 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 120.638 -1.289 . . . . 0.0 110.138 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.04 -40.07 79.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.534 -0.98 . . . . 0.0 110.704 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.44 -43.52 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.814 -1.178 . . . . 0.0 109.598 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.19 -35.81 81.42 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 109.596 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.94 96.26 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.54 -38.82 90.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.257 -1.143 . . . . 0.0 110.777 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.16 -48.04 69.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.737 -1.227 . . . . 0.0 109.791 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -38.37 85.47 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -41.74 92.62 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.614 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -67.61 -18.97 65.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 0.0 108.772 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.04 57.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.646 -0.659 . . . . 0.0 110.112 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.97 4.09 45.16 Favored Glycine 0 N--CA 1.505 3.275 0 O-C-N 121.034 -1.041 . . . . 0.0 111.973 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -104.01 75.48 1.28 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.885 -1.362 . . . . 0.0 108.925 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -82.64 -11.51 58.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -130.15 151.88 50.19 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.048 -1.032 . . . . 0.0 109.657 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.0 95.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.733 -0.604 . . . . 0.0 111.353 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -59.45 -19.25 46.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.151 . . . . 0.0 111.122 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.36 -33.51 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.491 -1.38 . . . . 0.0 107.671 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.49 -37.35 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.02 -38.49 82.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.33 -40.13 95.6 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.07 -42.96 95.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -1.206 . . . . 0.0 108.395 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.97 -39.19 79.6 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.13 -27.93 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.391 -0.818 . . . . 0.0 110.355 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.47 12.91 11.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.154 -0.966 . . . . 0.0 110.348 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.3 39.68 9.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.771 -1.205 . . . . 0.0 109.756 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.03 20.96 10.09 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.798 -0.563 . . . . 0.0 110.69 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.75 108.48 4.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.601 -1.312 . . . . 0.0 108.995 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.65 -40.09 95.99 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.26 -39.2 78.56 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.599 -1.313 . . . . 0.0 110.939 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.48 -37.57 77.33 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.059 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.48 -46.01 88.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 0.0 109.562 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.94 -48.81 80.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 111.105 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.33 -39.96 96.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.687 -1.258 . . . . 0.0 108.847 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.461 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.9 t90 -64.06 -48.24 77.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.161 -0.962 . . . . 0.0 111.277 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.48 -44.51 82.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.057 -1.027 . . . . 0.0 110.266 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.03 -48.93 79.68 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -69.49 -28.86 66.42 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 65.1 m -76.91 -38.6 53.17 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.007 -1.058 . . . . 0.0 111.493 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 22.8 p -130.27 -29.65 2.01 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.506 -1.371 . . . . 0.0 112.35 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.83 14.11 27.85 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.551 -1.819 . . . . 0.0 108.551 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.434 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -50.85 155.5 1.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.24 -1.153 . . . . 0.0 109.243 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 9.6 t-20 -87.95 168.94 12.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.028 -1.045 . . . . 0.0 110.519 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.632 ' H ' ' ND2' ' A' ' 70' ' ' ASN . . . -61.24 -33.58 73.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.708 -0.62 . . . . 0.0 110.491 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -71.31 -41.28 70.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.018 -1.051 . . . . 0.0 109.808 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.49 -35.15 79.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.405 -0.809 . . . . 0.0 110.253 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -68.4 -38.57 81.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.414 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -60.35 -37.73 81.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.847 -1.158 . . . . 0.0 109.615 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.41 -38.72 81.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.685 -1.259 . . . . 0.0 110.786 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.23 -40.0 89.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.796 -1.19 . . . . 0.0 110.156 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.39 -58.9 6.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.716 -1.24 . . . . 0.0 109.847 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.32 85.0 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.81 -50.78 54.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.83 -1.394 . . . . 0.0 109.908 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.95 -39.81 75.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.357 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.95 -40.03 96.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.109 -0.994 . . . . 0.0 110.766 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.25 -39.39 78.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.92 -1.112 . . . . 0.0 110.584 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.0 t90 -60.35 -44.26 95.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.702 -1.249 . . . . 0.0 108.699 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 m -60.04 -40.5 89.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.364 -0.835 . . . . 0.0 109.775 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.27 -31.86 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -0.881 . . . . 0.0 110.052 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.82 -36.36 18.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.129 -0.982 . . . . 0.0 110.363 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.1 m-85 . . . . . 0 N--CA 1.496 1.854 0 O-C-N 121.468 -0.77 . . . . 0.0 110.37 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.092 0.472 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -59.16 -50.04 75.58 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.11 -0.993 . . . . 0.0 110.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.04 -33.17 71.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 110.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.59 -36.92 68.25 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -66.97 -41.46 86.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -0.916 . . . . 0.0 110.136 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.69 17.2 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 -6.13 9.98 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.495 -0.753 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -152.68 151.29 26.5 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 120.864 -1.147 . . . . 0.0 109.647 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -43.27 158.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.846 1.697 . . . . 0.0 111.878 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.2 ptp -93.46 -27.01 16.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.043 -1.036 . . . . 0.0 109.475 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.69 -136.08 45.01 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.12 30.04 6.55 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.481 -1.011 . . . . 0.0 110.623 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.0 148.5 77.1 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.862 -1.149 . . . . 0.0 108.06 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.15 154.44 73.46 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.244 1.963 . . . . 0.0 112.682 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' B' ' 22' ' ' SER . 12.0 p -53.24 -45.79 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.75 -0.594 . . . . 0.0 110.773 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . 0.437 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -59.01 -3.09 1.52 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 20' ' ' VAL . 23.7 t -82.03 -21.14 37.12 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.889 -1.359 . . . . 0.0 108.818 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.36 140.02 58.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.416 -0.802 . . . . 0.0 109.199 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.73 134.7 55.81 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.41 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.97 50.94 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 109.989 -1.245 . . . . 0.0 109.989 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.428 HG22 HD11 ' B' ' 26' ' ' ILE . 33.8 mm -98.36 117.83 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.045 -1.268 . . . . 0.0 108.334 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 175.58 36.41 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 120.714 -1.241 . . . . 0.0 110.194 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -58.1 -39.95 79.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.495 -1.003 . . . . 0.0 110.677 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.62 -43.47 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.24 -35.76 81.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.632 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.97 96.24 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.51 -38.97 91.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.185 -1.185 . . . . 0.0 110.773 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.08 -47.91 69.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.712 -1.242 . . . . 0.0 109.759 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.9 mt -60.99 -38.47 86.11 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -41.6 92.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.621 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.69 -18.97 65.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 108.794 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.01 57.29 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.096 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.25 45.34 Favored Glycine 0 N--CA 1.505 3.249 0 O-C-N 121.032 -1.043 . . . . 0.0 111.927 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -104.21 75.59 1.27 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.934 -1.333 . . . . 0.0 108.96 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -82.75 -11.4 58.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.305 -0.872 . . . . 0.0 110.661 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -130.22 152.02 50.1 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.95 95.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.704 -0.622 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -59.47 -19.35 47.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.792 -1.193 . . . . 0.0 111.118 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -79.18 -33.51 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.507 -1.371 . . . . 0.0 107.744 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.8 t -77.51 -37.43 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.03 -38.59 83.18 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.17 -40.17 95.4 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.02 -42.99 95.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -1.187 . . . . 0.0 108.426 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.91 -39.26 79.76 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.11 -27.78 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.321 -0.862 . . . . 0.0 110.388 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.59 12.99 11.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.092 -1.005 . . . . 0.0 110.324 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.13 39.71 8.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.765 -1.209 . . . . 0.0 109.802 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 59.97 20.91 9.96 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.799 -0.563 . . . . 0.0 110.663 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.57 108.42 4.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.501 -1.374 . . . . 0.0 108.999 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.73 -39.97 95.61 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.3 -39.15 78.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.575 -1.328 . . . . 0.0 110.957 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.53 -37.63 77.2 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.063 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.4 -45.97 88.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.02 -48.98 79.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 111.121 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.792 -1.193 . . . . 0.0 108.882 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.464 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.9 t90 -64.14 -48.18 77.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 111.349 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.42 -44.62 82.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.264 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.07 -48.8 80.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.139 -0.976 . . . . 0.0 109.721 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -69.35 -29.42 67.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 64.3 m -76.44 -38.72 55.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 111.551 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.437 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 23.1 p -130.23 -29.65 2.02 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.505 -1.372 . . . . 0.0 112.293 -177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.84 14.17 27.69 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.437 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -50.96 155.48 1.2 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -1.167 . . . . 0.0 109.22 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . 0.631 ' ND2' ' H ' ' B' ' 71' ' ' ALA . 9.5 t-20 -87.73 169.08 12.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.993 -1.067 . . . . 0.0 110.539 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.631 ' H ' ' ND2' ' B' ' 70' ' ' ASN . . . -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.752 -0.593 . . . . 0.0 110.574 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.39 -41.27 69.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.845 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.38 -35.18 79.69 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.362 -0.836 . . . . 0.0 110.342 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -68.42 -38.61 81.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 110.369 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -60.35 -37.64 81.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.829 -1.17 . . . . 0.0 109.612 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.51 -38.63 81.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.565 -1.334 . . . . 0.0 110.828 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -66.25 -39.99 89.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.862 -1.149 . . . . 0.0 110.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -58.39 -58.81 6.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.655 -1.278 . . . . 0.0 109.907 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -33.3 84.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.89 -50.69 54.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.348 . . . . 0.0 109.909 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.05 -39.72 75.52 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.378 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -63.15 -39.99 96.25 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 110.72 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.15 -39.35 78.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.989 -1.069 . . . . 0.0 110.603 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.1 t90 -60.47 -44.12 96.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.58 -1.325 . . . . 0.0 108.673 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 m -60.02 -40.63 89.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.3 -31.71 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -0.842 . . . . 0.0 110.102 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -36.69 18.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.127 -0.983 . . . . 0.0 110.371 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -107.12 -87.82 0.47 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 110.358 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.086 -1.009 . . . . 0.0 109.102 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.048 0.452 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.22 -0.925 . . . . 0.0 110.869 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.66 -32.72 71.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.59 -39.83 73.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.364 -0.835 . . . . 0.0 111.067 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.0 -40.69 75.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.934 -1.104 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.62 11.72 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.056 -1.027 . . . . 0.0 110.711 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.27 -5.17 10.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.321 -0.862 . . . . 0.0 110.512 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.72 151.62 23.93 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 120.983 -1.073 . . . . 0.0 109.307 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -42.51 159.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 121.915 1.743 . . . . 0.0 111.824 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.8 ptp -92.67 -22.0 19.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.95 -138.05 39.21 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -106.86 31.37 5.36 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.575 -0.956 . . . . 0.0 110.201 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.0 148.66 76.72 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.036 -1.04 . . . . 0.0 108.936 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.39 77.36 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.324 2.016 . . . . 0.0 112.442 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -52.7 -39.36 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 110.645 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.09 -3.21 5.99 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 m -81.76 -24.47 36.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.804 -1.409 . . . . 0.0 109.253 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.03 139.97 58.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.271 -0.893 . . . . 0.0 109.733 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 137.44 58.05 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.643 0.735 . . . . 0.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -21.01 47.75 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.44 120.13 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.1 -1.235 . . . . 0.0 108.603 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.51 176.13 39.67 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.58 -39.94 85.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.545 -0.974 . . . . 0.0 110.459 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.67 -44.65 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.873 -1.142 . . . . 0.0 109.425 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.13 -36.77 82.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 109.671 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -36.98 91.97 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 36' ' ' GLU . 62.7 tttm -64.01 -40.01 95.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.558 -0.966 . . . . 0.0 110.146 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.01 -48.32 71.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.899 -1.126 . . . . 0.0 109.966 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.05 -38.5 86.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.015 . . . . 0.0 108.714 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.93 -40.05 87.6 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.625 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 98.9 mt-10 -68.8 -19.12 64.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 108.857 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.49 0.6 56.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.606 -0.684 . . . . 0.0 110.363 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.95 3.96 42.11 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 121.059 -1.026 . . . . 0.0 111.891 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.45 76.47 1.31 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.893 -1.357 . . . . 0.0 109.035 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 37.7 p-10 -80.99 -10.09 59.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.861 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.98 158.79 43.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.897 -1.127 . . . . 0.0 110.719 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.58 92.24 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -59.93 -19.74 53.57 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.43 -1.419 . . . . 0.0 111.195 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.08 -34.83 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.51 -1.369 . . . . 0.0 107.541 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.86 -36.43 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.09 -38.23 82.32 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.33 -41.93 95.32 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.05 -41.69 92.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.007 -1.29 . . . . 0.0 108.943 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.46 -40.19 90.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 108.883 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.21 -38.59 82.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.21 -29.94 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.28 12.36 8.28 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.051 -1.031 . . . . 0.0 110.266 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 48.22 38.46 10.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.8 -1.188 . . . . 0.0 110.039 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 59.98 20.06 9.13 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.52 -0.738 . . . . 0.0 110.78 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -68.85 106.95 2.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.407 -1.433 . . . . 0.0 108.66 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.86 -40.02 94.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.875 . . . . 0.0 112.122 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -67.8 -39.95 83.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.84 -1.162 . . . . 0.0 109.944 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.04 -37.83 75.68 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.283 -0.967 . . . . 0.0 109.142 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.83 -41.71 91.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.819 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.44 HH22 ' CG ' ' A' ' 75' ' ' ARG . 50.6 mtt-85 -59.88 -49.79 76.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.927 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.0 -38.69 91.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.74 -1.225 . . . . 0.0 109.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.456 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.5 t90 -62.56 -47.78 82.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.835 . . . . 0.0 110.646 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.01 -48.6 62.61 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.162 -0.961 . . . . 0.0 110.4 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.17 -48.02 83.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.06 -1.025 . . . . 0.0 109.524 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 31.6 t0 -67.6 -32.18 72.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.5 m -79.07 -34.95 43.21 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.355 -0.841 . . . . 0.0 111.242 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.4 p -133.05 -39.74 0.94 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.528 -1.357 . . . . 0.0 112.182 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.493 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 113.54 16.79 7.93 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.2 152.18 3.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.993 -1.298 . . . . 0.0 109.782 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.0 172.49 8.41 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.165 -0.96 . . . . 0.0 109.822 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.18 71.59 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.349 -0.844 . . . . 0.0 110.988 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -70.2 -40.07 74.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.71 -1.243 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -66.26 -39.72 89.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 110.352 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 m -63.78 -39.95 95.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.365 -0.835 . . . . 0.0 110.603 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' CG ' HH22 ' A' ' 60' ' ' ARG . 95.6 mtt180 -61.19 -38.57 87.0 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.673 -1.267 . . . . 0.0 109.279 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.96 -39.9 75.74 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.849 -1.157 . . . . 0.0 110.501 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.74 -39.98 80.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.917 -1.114 . . . . 0.0 109.356 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -59.87 4.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.976 -1.077 . . . . 0.0 110.052 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.86 -32.96 83.77 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -67.29 -49.98 62.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.949 -1.324 . . . . 0.0 109.38 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.56 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -63.76 -40.01 95.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.044 -1.035 . . . . 0.0 110.374 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -69.79 -38.57 76.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 110.099 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.1 t90 -61.62 -44.57 96.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.732 -1.23 . . . . 0.0 108.728 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.2 -39.95 88.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 0.0 109.169 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.53 -31.71 69.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.396 -0.815 . . . . 0.0 110.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.25 18.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 110.695 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 98.4 m-85 . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.209 -0.932 . . . . 0.0 110.298 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -59.91 -49.98 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.122 -0.986 . . . . 0.0 110.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.72 -32.73 71.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.942 -1.099 . . . . 0.0 109.522 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.64 -39.91 73.38 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.472 -0.768 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -69.92 -40.78 75.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.824 -1.173 . . . . 0.0 110.816 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -83.69 12.03 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.063 -1.023 . . . . 0.0 110.808 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.55 -5.23 10.28 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.336 -0.853 . . . . 0.0 110.411 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.71 151.41 23.48 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 120.937 -1.102 . . . . 0.0 109.352 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -42.33 159.97 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.834 1.689 . . . . 0.0 111.829 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.4 ptp -92.74 -21.62 19.84 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.202 -0.936 . . . . 0.0 109.951 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.4 -138.07 37.12 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -106.74 31.53 5.21 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.584 -0.951 . . . . 0.0 110.194 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.04 148.69 76.93 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.918 -1.114 . . . . 0.0 108.994 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.35 77.6 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.401 2.067 . . . . 0.0 112.422 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 p -52.76 -39.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.749 -0.594 . . . . 0.0 110.679 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.25 -2.97 5.94 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -82.08 -24.42 35.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.82 -1.4 . . . . 0.0 109.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.01 139.85 58.81 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.951 0.882 . . . . 0.0 109.743 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 137.41 58.07 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.663 0.744 . . . . 0.0 110.518 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.18 -20.97 47.92 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.37 120.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.034 -1.274 . . . . 0.0 108.519 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.89 175.99 38.94 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -59.5 -39.99 85.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.987 . . . . 0.0 110.401 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -44.79 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.03 -36.85 83.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.07 92.02 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' B' ' 36' ' ' GLU . 62.7 tttm -64.04 -40.01 95.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.962 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.89 -48.34 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.903 -1.123 . . . . 0.0 109.93 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.92 -38.47 85.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.039 -1.038 . . . . 0.0 108.729 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.05 -40.2 88.6 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 98.8 mt-10 -68.49 -19.26 64.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.221 -0.924 . . . . 0.0 108.896 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -89.6 1.17 56.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.381 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.55 3.87 43.43 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.998 -1.064 . . . . 0.0 111.895 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.77 76.76 1.29 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.978 -1.307 . . . . 0.0 109.068 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -81.29 -10.1 59.64 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.808 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.92 158.93 43.32 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.908 -1.12 . . . . 0.0 110.62 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.3 -19.95 57.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.423 -1.423 . . . . 0.0 111.099 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -77.98 -34.67 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.542 -1.349 . . . . 0.0 107.565 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.93 -36.4 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.07 -38.21 82.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.38 -42.01 95.45 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.02 -41.68 92.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.941 -1.329 . . . . 0.0 108.848 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -60.37 -40.16 89.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.423 -0.798 . . . . 0.0 108.87 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.31 -38.9 82.07 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.0 -29.66 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.381 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.63 12.72 8.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.046 -1.034 . . . . 0.0 110.245 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 69.0 mttm 47.94 38.35 9.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.691 -1.256 . . . . 0.0 110.206 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 60.01 19.95 9.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.556 -0.715 . . . . 0.0 110.755 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.67 106.92 2.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.402 -1.436 . . . . 0.0 108.615 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -40.13 94.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.946 . . . . 0.0 112.12 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.57 -40.02 84.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.879 -1.138 . . . . 0.0 110.041 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.158 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.76 -41.71 91.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.513 -0.742 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.436 HH22 ' CG ' ' B' ' 75' ' ' ARG . 49.5 mtt-85 -59.99 -49.95 75.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.276 -0.89 . . . . 0.0 110.931 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.82 -38.36 90.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.891 -1.131 . . . . 0.0 109.164 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.443 ' O ' ' OG1' ' B' ' 66' ' ' THR . 69.1 t90 -62.98 -47.56 82.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.366 -0.834 . . . . 0.0 110.694 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.94 -48.73 62.52 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.07 -48.12 83.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.043 -1.036 . . . . 0.0 109.511 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 36.5 t0 -67.47 -31.93 72.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.606 -0.684 . . . . 0.0 109.38 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 52.7 m -79.34 -34.77 41.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.825 . . . . 0.0 111.3 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.4 p -133.14 -39.87 0.93 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.57 -1.331 . . . . 0.0 112.083 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 113.45 17.08 7.79 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.28 152.18 3.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.993 -1.298 . . . . 0.0 109.775 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.88 172.77 8.24 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.105 -0.997 . . . . 0.0 109.735 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.2 71.71 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.4 -0.812 . . . . 0.0 110.998 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -70.35 -40.08 74.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.776 -1.202 . . . . 0.0 109.856 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.19 -39.73 89.91 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.426 -0.796 . . . . 0.0 110.325 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -63.76 -40.02 95.69 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.189 -0.944 . . . . 0.0 110.579 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.436 ' CG ' HH22 ' B' ' 60' ' ' ARG . 95.8 mtt180 -61.36 -38.31 86.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.61 -1.307 . . . . 0.0 109.227 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.948 -1.095 . . . . 0.0 110.626 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -68.69 -40.12 80.19 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.88 -1.137 . . . . 0.0 109.406 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.1 -59.68 5.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.065 . . . . 0.0 110.03 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.83 83.62 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.54 -49.87 61.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.906 -1.349 . . . . 0.0 109.35 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -39.95 75.23 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.45 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.66 -40.05 95.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.105 -0.997 . . . . 0.0 110.482 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.85 -38.52 76.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.083 -1.011 . . . . 0.0 110.117 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -61.67 -44.71 96.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.621 -1.3 . . . . 0.0 108.655 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.08 -39.97 87.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.47 -31.47 69.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.496 -0.752 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -36.29 18.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.994 -1.066 . . . . 0.0 110.601 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.4 m-85 -105.55 -85.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.269 -0.895 . . . . 0.0 110.14 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.836 -1.165 . . . . 0.0 108.981 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.403 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.3 t60 -59.87 -50.23 74.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.061 -1.024 . . . . 0.0 110.596 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.23 -33.61 71.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.974 -1.079 . . . . 0.0 109.949 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.79 -39.97 72.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.345 -0.847 . . . . 0.0 110.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.94 -44.48 80.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.434 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.0 m -84.95 13.71 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 110.367 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -10.3 14.47 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.281 -0.887 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -153.95 152.12 26.14 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 120.969 -1.082 . . . . 0.0 109.215 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -40.48 160.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.091 1.86 . . . . 0.0 112.039 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptp -88.69 -20.82 24.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.038 -1.039 . . . . 0.0 109.648 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.15 -140.01 13.13 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.52 29.89 6.16 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.438 -1.036 . . . . 0.0 110.435 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.69 149.84 77.82 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.944 -1.098 . . . . 0.0 108.686 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.66 156.96 61.12 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.555 2.17 . . . . 0.0 112.909 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.9 p -55.58 -40.79 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.618 -0.676 . . . . 0.0 110.607 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.85 -2.3 2.48 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 73.9 m -81.16 -21.66 39.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.857 -1.378 . . . . 0.0 108.914 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.27 139.96 58.66 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.336 -0.852 . . . . 0.0 109.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 136.35 56.69 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.536 0.684 . . . . 0.0 109.837 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.29 -19.97 51.82 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 26' ' ' ILE . 31.9 mm -98.52 116.87 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -1.146 . . . . 0.0 108.174 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.01 177.08 38.08 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -58.03 -39.93 79.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.419 -1.048 . . . . 0.0 110.321 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -43.82 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.022 . . . . 0.0 109.419 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.64 -39.54 84.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -0.879 . . . . 0.0 109.659 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.06 -36.94 90.75 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.44 -39.74 92.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -1.056 . . . . 0.0 110.685 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.27 -47.01 71.94 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.741 -1.225 . . . . 0.0 110.142 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 mt -60.02 -39.72 86.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.9 -1.125 . . . . 0.0 108.292 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.15 -40.62 90.49 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.948 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.31 -19.6 64.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.065 -1.022 . . . . 0.0 108.767 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HG2' HH11 ' A' ' 37' ' ' ARG . 1.3 mmt-85 -89.95 1.26 56.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.513 -0.742 . . . . 0.0 110.684 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.98 40.54 Favored Glycine 0 N--CA 1.505 3.24 0 O-C-N 120.969 -1.082 . . . . 0.0 111.836 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -103.77 73.57 1.18 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.889 -1.359 . . . . 0.0 108.618 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 27.9 p-10 -82.63 -12.5 57.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.665 -178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.17 151.16 51.0 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 109.697 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.02 94.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -59.98 -19.6 53.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.501 -1.374 . . . . 0.0 110.959 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.08 -32.18 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.636 -1.29 . . . . 0.0 107.638 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.25 -39.48 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.94 -38.74 83.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.25 -43.61 74.95 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.08 -42.95 95.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.263 . . . . 0.0 109.529 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.63 -37.95 83.2 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.804 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.32 -26.78 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.097 -1.002 . . . . 0.0 110.932 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.69 12.44 10.7 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.98 -1.075 . . . . 0.0 111.232 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 47.95 38.77 9.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.643 -1.286 . . . . 0.0 110.01 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 60.09 20.16 9.39 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.566 -0.709 . . . . 0.0 110.553 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -67.4 106.72 2.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.58 -1.325 . . . . 0.0 108.288 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.3 -40.84 96.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.323 -0.86 . . . . 0.0 112.745 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.28 -39.12 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.434 -1.416 . . . . 0.0 109.528 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.88 -39.81 76.08 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.66 -48.78 73.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 109.773 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -59.98 -47.42 85.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.379 -0.826 . . . . 0.0 110.415 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.09 -37.5 87.69 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.18 -0.95 . . . . 0.0 109.44 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.445 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.4 t90 -63.72 -47.51 80.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.242 -0.911 . . . . 0.0 111.45 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 58.8 tp -69.01 -46.74 67.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 0.0 110.704 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.38 -47.83 84.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.028 -1.045 . . . . 0.0 110.338 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.03 -26.54 64.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.734 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.5 m -80.48 -33.47 36.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.189 -0.944 . . . . 0.0 111.238 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 11.6 p -132.3 -26.94 1.83 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.624 -1.298 . . . . 0.0 111.938 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.33 13.77 27.71 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -50.83 153.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.084 -1.245 . . . . 0.0 109.061 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.07 171.73 9.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 109.83 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.97 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.581 -0.699 . . . . 0.0 110.694 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -71.69 -40.1 69.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.857 -1.152 . . . . 0.0 109.736 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.45 -39.64 92.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.476 -0.765 . . . . 0.0 109.749 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 m -63.36 -39.98 96.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.499 -0.75 . . . . 0.0 110.576 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.22 -38.43 83.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.765 -1.209 . . . . 0.0 110.167 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.94 -39.79 83.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.59 -1.319 . . . . 0.0 110.808 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.3 -40.11 81.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.73 -1.231 . . . . 0.0 110.253 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.32 -60.33 4.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.628 -1.295 . . . . 0.0 110.459 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.65 -32.17 77.65 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.0 -1.294 . . . . 0.0 110.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.034 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -62.11 -40.04 94.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -0.888 . . . . 0.0 110.569 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.1 mt-10 -70.01 -38.33 75.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 111.218 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.1 t90 -61.47 -45.05 95.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.446 -1.409 . . . . 0.0 109.161 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.45 -40.11 93.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.0 110.225 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.61 -29.59 66.58 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.63 12.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.203 -0.936 . . . . 0.0 111.499 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 83.3 m-85 . . . . . 0 N--CA 1.506 2.356 0 O-C-N 121.157 -0.964 . . . . 0.0 113.366 -176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.074 0.464 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.401 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.2 t60 -60.02 -50.23 74.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 110.62 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.04 -33.51 72.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.91 -39.98 72.42 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.372 -0.83 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.99 -44.42 80.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.102 -0.999 . . . . 0.0 110.468 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.14 14.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.976 -1.078 . . . . 0.0 110.301 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.95 -10.51 14.39 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.381 -0.824 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -153.85 152.1 26.24 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.936 -1.102 . . . . 0.0 109.111 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.44 160.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.024 1.816 . . . . 0.0 112.101 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.8 ptp -88.83 -20.8 24.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.068 -1.02 . . . . 0.0 109.637 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.04 -140.0 12.54 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.47 30.07 5.99 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.463 -1.022 . . . . 0.0 110.454 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.85 149.8 79.22 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.869 -1.145 . . . . 0.0 108.664 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.67 156.86 61.71 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.503 2.135 . . . . 0.0 112.984 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.0 p -55.31 -40.99 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.638 -0.664 . . . . 0.0 110.637 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -2.26 2.41 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.438 ' H ' ' C ' ' B' ' 20' ' ' VAL . 72.9 m -81.28 -21.42 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.807 -1.408 . . . . 0.0 108.96 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.56 139.85 58.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.274 -0.891 . . . . 0.0 109.744 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 136.29 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.649 0.738 . . . . 0.0 109.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.5 -20.01 51.39 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.4 117.13 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.195 -1.179 . . . . 0.0 108.187 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 177.2 38.08 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -58.09 -40.03 80.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -1.012 . . . . 0.0 110.265 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.25 -43.89 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.494 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.62 -39.59 84.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.621 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.19 -36.91 90.78 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.34 -39.98 93.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -1.041 . . . . 0.0 110.649 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.91 -47.15 72.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.862 -1.149 . . . . 0.0 110.193 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.01 -39.76 86.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.953 -1.092 . . . . 0.0 108.298 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.06 -19.56 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.3 mmt-85 -90.03 1.38 56.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.452 -0.78 . . . . 0.0 110.593 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.29 5.06 40.62 Favored Glycine 0 N--CA 1.505 3.266 0 O-C-N 121.039 -1.038 . . . . 0.0 111.797 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.87 73.57 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.792 -1.416 . . . . 0.0 108.549 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.76 -12.68 57.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.788 . . . . 0.0 110.651 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.06 151.3 50.76 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.153 -0.967 . . . . 0.0 109.613 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.06 94.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.615 -0.678 . . . . 0.0 111.606 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -59.99 -19.66 53.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.583 -1.323 . . . . 0.0 110.949 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.89 -32.35 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.09 -39.56 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.98 -38.63 83.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.35 -43.65 76.03 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.1 -42.84 95.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.075 -1.25 . . . . 0.0 109.491 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.0 -39.93 87.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.15 -0.969 . . . . 0.0 108.827 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.86 -37.82 82.31 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.5 t -67.34 -26.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.217 -0.927 . . . . 0.0 110.956 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.0 12.59 10.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.973 -1.079 . . . . 0.0 111.109 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 47.81 38.83 9.43 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.614 -1.304 . . . . 0.0 110.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 59.93 20.01 9.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.676 -0.64 . . . . 0.0 110.64 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -66.96 107.02 2.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.634 -1.291 . . . . 0.0 108.235 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.82 -40.73 95.68 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.31 -0.869 . . . . 0.0 112.699 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.18 -39.21 82.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.435 -1.415 . . . . 0.0 109.578 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.59 -48.85 73.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.086 -1.009 . . . . 0.0 109.729 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -59.99 -47.53 85.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 110.423 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.2 t90 -63.87 -47.42 80.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.409 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 58.6 tp -69.13 -46.56 67.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.015 -1.053 . . . . 0.0 110.72 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.46 -47.96 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.004 -1.06 . . . . 0.0 110.265 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.88 -26.8 64.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.6 m -80.37 -33.33 37.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 111.263 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 11.2 p -132.24 -27.4 1.8 Allowed 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.549 -1.344 . . . . 0.0 111.878 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.67 13.85 26.83 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.43 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -50.88 153.76 1.68 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.105 -1.233 . . . . 0.0 109.019 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.05 171.76 9.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.996 -1.065 . . . . 0.0 109.87 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.89 74.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.569 -0.707 . . . . 0.0 110.704 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.69 -40.14 69.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.916 -1.115 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.46 -39.72 92.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.451 -0.78 . . . . 0.0 109.795 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.4 m -63.17 -39.99 96.25 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.611 -0.68 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.46 -38.25 83.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 110.228 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -67.98 -39.76 83.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.485 -1.385 . . . . 0.0 110.87 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -40.04 81.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.775 -1.203 . . . . 0.0 110.209 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.35 -60.34 4.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.66 -1.275 . . . . 0.0 110.477 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.68 -32.03 77.31 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -70.47 -47.61 59.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.069 -1.253 . . . . 0.0 110.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.111 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -62.22 -40.1 95.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.401 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 94.9 mt-10 -69.97 -38.43 76.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.997 -1.064 . . . . 0.0 111.229 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.1 t90 -61.42 -45.05 95.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.515 -1.366 . . . . 0.0 109.197 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 68.0 m -61.56 -39.95 92.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.515 -0.741 . . . . 0.0 110.221 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -58.84 -29.42 66.91 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.079 -1.013 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.44 -34.81 11.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.216 -0.927 . . . . 0.0 111.464 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 83.5 m-85 -109.79 -11.0 14.75 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.231 -0.918 . . . . 0.0 113.374 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp . . . . . 0 N--CA 1.504 2.23 0 O-C-N 120.288 -1.507 . . . . 0.0 109.442 -179.627 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -58.25 -50.59 73.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 0.0 110.36 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -33.06 71.6 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 110.088 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.24 -39.47 75.01 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.0 t80 -67.93 -41.05 83.19 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.14 -0.975 . . . . 0.0 110.864 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.9 m -82.58 14.59 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.974 -1.078 . . . . 0.0 109.942 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.69 -6.89 9.65 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.486 -0.759 . . . . 0.0 110.692 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.25 151.92 32.43 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 120.834 -1.166 . . . . 0.0 109.755 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.33 156.58 0.53 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.824 1.683 . . . . 0.0 111.666 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -90.14 -24.52 21.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.048 -1.032 . . . . 0.0 109.618 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.23 -138.23 39.96 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.64 32.24 4.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.479 -1.012 . . . . 0.0 110.346 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 149.88 83.14 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.09 157.33 62.23 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.384 2.056 . . . . 0.0 112.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' SER . 5.3 p -55.49 -45.5 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.532 -0.73 . . . . 0.0 110.321 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.93 -3.79 1.34 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.5 t -81.53 -23.02 37.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.843 -1.387 . . . . 0.0 108.74 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.98 139.78 58.8 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.319 -0.863 . . . . 0.0 109.139 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.37 136.99 57.2 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.739 0.781 . . . . 0.0 110.14 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.45 53.26 Favored Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.93 119.87 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.168 -1.196 . . . . 0.0 108.51 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.03 176.13 37.21 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.747 -1.221 . . . . 0.0 110.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.06 -39.99 75.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.671 -0.9 . . . . 0.0 110.299 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.92 -42.79 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.638 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.37 -38.93 85.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.1 -39.96 96.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.95 -40.03 96.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.241 -1.152 . . . . 0.0 111.143 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.57 -43.41 76.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.533 -1.355 . . . . 0.0 109.781 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.24 -39.95 96.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 108.73 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -41.36 91.79 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.726 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.49 -21.55 66.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.94 . . . . 0.0 109.461 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -90.9 4.48 51.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.27 -0.894 . . . . 0.0 111.021 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.86 45.03 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 120.931 -1.106 . . . . 0.0 111.984 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.84 72.32 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.857 -1.378 . . . . 0.0 107.697 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.05 -9.7 59.72 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.971 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.08 157.89 45.68 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.949 -1.094 . . . . 0.0 110.489 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.44 91.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.678 -0.639 . . . . 0.0 112.636 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -59.91 -18.41 44.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.381 -1.449 . . . . 0.0 111.011 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -77.2 -32.06 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.94 -37.02 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.0 -39.0 84.26 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.57 98.43 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.97 -41.84 92.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.411 . . . . 0.0 108.751 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.07 -40.9 91.1 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.11 -37.69 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.57 -27.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.456 -0.777 . . . . 0.0 110.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.72 13.91 13.11 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.109 -0.994 . . . . 0.0 110.218 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 47.25 40.48 10.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.826 -1.171 . . . . 0.0 110.313 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.95 20.82 9.85 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.54 -0.725 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.06 112.31 4.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.447 -1.408 . . . . 0.0 108.659 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 86.5 tt0 -66.27 -41.49 89.79 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.423 -0.798 . . . . 0.0 112.87 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.67 -39.53 76.96 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.84 -1.163 . . . . 0.0 110.394 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.57 -39.26 77.47 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.081 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.62 -47.53 81.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 0.0 109.611 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.6 mtt180 -60.12 -47.38 86.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.925 . . . . 0.0 110.879 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.75 -38.98 93.13 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.72 -1.238 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.5 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.6 t90 -64.42 -48.08 76.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 111.171 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.93 -46.25 75.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.911 -1.118 . . . . 0.0 110.642 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.18 -46.79 89.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.078 -1.014 . . . . 0.0 110.096 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.75 -27.79 65.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.594 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 96.6 m -75.97 -37.39 58.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.285 -0.884 . . . . 0.0 110.736 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.0 p -131.43 -28.56 1.86 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.607 -1.308 . . . . 0.0 112.249 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.0 16.75 12.87 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 151.79 2.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -1.086 . . . . 0.0 110.151 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.19 170.11 10.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.324 -0.86 . . . . 0.0 109.704 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.38 73.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.0 110.701 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -70.92 -43.41 68.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.799 -1.188 . . . . 0.0 110.599 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.32 -31.71 72.18 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -68.69 -37.63 79.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.056 -1.028 . . . . 0.0 109.814 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.63 -39.1 87.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.017 -1.052 . . . . 0.0 110.192 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.44 -39.92 85.41 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.564 -1.335 . . . . 0.0 110.755 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.2 m -70.09 -39.98 75.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.761 -1.212 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.4 -60.06 4.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.653 -1.279 . . . . 0.0 110.11 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.41 -33.32 84.23 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.32 -46.56 73.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.747 -1.443 . . . . 0.0 109.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.03 -39.11 75.95 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.735 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -59.99 -43.42 95.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.277 -0.889 . . . . 0.0 110.475 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' O ' ' A' ' 79' ' ' GLY . 1.1 mp0 -70.61 -37.39 73.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.107 -0.996 . . . . 0.0 110.902 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.561 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.3 t90 -60.07 -44.75 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.424 -1.422 . . . . 0.0 108.356 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -39.98 93.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.547 -0.721 . . . . 0.0 109.367 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.98 -33.89 72.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.486 -0.759 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.25 -39.07 18.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.13 -0.981 . . . . 0.0 110.626 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 . . . . . 0 N--CA 1.499 2.019 0 O-C-N 121.165 -0.96 . . . . 0.0 110.643 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -58.25 -50.61 72.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.133 -0.979 . . . . 0.0 110.405 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -32.98 71.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.031 -1.043 . . . . 0.0 110.152 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.33 -39.44 74.74 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.323 -0.86 . . . . 0.0 110.367 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.0 t80 -67.9 -41.01 83.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.173 -0.955 . . . . 0.0 110.886 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -82.72 14.77 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.854 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.78 -7.0 9.61 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.518 -0.739 . . . . 0.0 110.619 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.16 151.91 32.63 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.75 -1.219 . . . . 0.0 109.815 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.35 156.67 0.53 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.856 1.704 . . . . 0.0 111.675 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -90.17 -24.53 21.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.027 -1.046 . . . . 0.0 109.563 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.05 -138.23 39.29 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.53 32.26 4.19 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.54 -0.976 . . . . 0.0 110.328 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.62 149.91 82.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.988 -1.07 . . . . 0.0 109.168 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.09 157.42 61.79 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.336 2.024 . . . . 0.0 112.666 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' B' ' 22' ' ' SER . 5.4 p -55.47 -45.55 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.553 -0.717 . . . . 0.0 110.32 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.87 -3.78 1.32 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.467 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.5 t -81.67 -22.86 37.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.828 -1.395 . . . . 0.0 108.721 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.21 139.74 58.8 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.487 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -65.28 136.97 57.23 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.667 0.746 . . . . 0.0 110.174 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.75 -19.32 53.89 Favored Glycine 0 N--CA 1.498 2.784 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.97 119.89 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.152 -1.205 . . . . 0.0 108.548 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.03 176.15 37.23 Favored Glycine 0 N--CA 1.492 2.406 0 O-C-N 120.739 -1.226 . . . . 0.0 110.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.03 -39.96 75.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.61 -0.935 . . . . 0.0 110.422 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.88 -42.95 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.924 -1.11 . . . . 0.0 109.64 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.12 -39.06 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.361 -0.837 . . . . 0.0 109.683 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.93 96.5 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.04 -40.01 96.45 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.276 -1.132 . . . . 0.0 111.138 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.43 -43.47 77.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.426 -1.421 . . . . 0.0 109.847 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.23 -39.97 96.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 108.752 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.98 -41.23 91.54 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.58 -21.61 66.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.275 -0.891 . . . . 0.0 109.454 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -90.81 4.57 51.36 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.298 -0.876 . . . . 0.0 111.142 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.94 45.16 Favored Glycine 0 N--CA 1.503 3.121 0 O-C-N 120.926 -1.109 . . . . 0.0 111.951 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.97 72.36 1.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.744 -1.445 . . . . 0.0 107.684 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.17 -9.49 59.72 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.938 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.22 157.85 45.74 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.026 -1.046 . . . . 0.0 110.555 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.39 91.62 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -60.03 -18.32 45.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.46 -1.4 . . . . 0.0 111.001 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.16 -32.03 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.99 -36.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.04 -39.12 84.84 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.67 98.31 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.95 -41.84 92.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.988 -1.301 . . . . 0.0 108.655 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.08 -40.83 90.92 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.18 -37.75 81.3 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.46 -27.36 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.438 -0.789 . . . . 0.0 110.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.87 14.13 12.82 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.092 -1.005 . . . . 0.0 110.284 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 47.15 40.46 10.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.822 -1.174 . . . . 0.0 110.361 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 60.11 20.51 9.75 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.567 -0.708 . . . . 0.0 110.612 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -67.84 112.3 4.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.551 -1.343 . . . . 0.0 108.606 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 86.5 tt0 -66.35 -41.53 89.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.524 -0.735 . . . . 0.0 112.822 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.63 -39.43 77.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.816 -1.178 . . . . 0.0 110.374 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.73 -39.17 76.97 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.07 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.68 -47.54 80.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.653 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.6 mtt180 -59.94 -47.72 84.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.876 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.47 -38.97 93.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.686 -1.259 . . . . 0.0 109.48 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.509 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.98 -46.3 75.03 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.925 -1.109 . . . . 0.0 110.663 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.12 -46.86 88.85 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.112 -0.992 . . . . 0.0 110.131 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -69.52 -28.01 65.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 109.675 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 96.6 m -75.93 -37.4 58.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.338 -0.851 . . . . 0.0 110.772 -178.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.29 -28.73 1.87 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.606 -1.309 . . . . 0.0 112.355 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.8 12.63 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.85 3.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -1.138 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.17 170.07 10.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.25 -0.906 . . . . 0.0 109.657 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.18 72.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.487 -0.758 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -71.12 -43.27 67.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 0.0 110.585 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.4 -31.75 72.18 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.17 -0.956 . . . . 0.0 110.341 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.6 p -68.68 -37.62 79.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.062 -1.024 . . . . 0.0 109.811 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.69 -38.92 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 110.289 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.6 -40.01 84.75 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.656 -1.277 . . . . 0.0 110.684 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 93.0 m -70.0 -39.94 75.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.873 -1.142 . . . . 0.0 110.519 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -60.38 -60.02 4.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.661 -1.274 . . . . 0.0 110.206 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.447 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.56 -33.07 83.57 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -67.5 -46.6 72.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.788 -1.419 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.03 -39.15 75.94 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.753 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -60.0 -43.12 95.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.158 -0.964 . . . . 0.0 110.494 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 79' ' ' GLY . 0.9 OUTLIER -71.06 -37.2 72.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 110.654 -179.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.559 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 72.1 t90 -60.13 -44.72 94.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.366 -1.459 . . . . 0.0 108.314 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -40.01 93.62 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.609 -0.682 . . . . 0.0 109.288 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -33.76 72.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.779 . . . . 0.0 109.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.35 -39.15 17.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.16 -0.962 . . . . 0.0 110.552 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.7 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.136 -0.977 . . . . 0.0 110.606 -178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 109.312 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.533 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.4 t60 -59.27 -50.3 74.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 110.422 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.9 mtm-85 -70.08 -31.09 68.5 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.199 -0.938 . . . . 0.0 109.781 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.92 -39.51 63.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -66.32 -39.99 89.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.028 -1.045 . . . . 0.0 109.978 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.08 18.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.021 -1.049 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -7.21 9.95 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.58 -0.7 . . . . 0.0 110.451 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.63 153.32 31.84 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.196 . . . . 0.0 109.894 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.25 158.91 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.85 1.7 . . . . 0.0 111.722 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.9 ptp -88.47 -20.44 25.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.916 -1.115 . . . . 0.0 109.066 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.58 13.72 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.88 29.52 6.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.594 -0.945 . . . . 0.0 110.162 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -60.93 149.48 80.94 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.929 -1.107 . . . . 0.0 108.717 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -67.38 158.68 55.87 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.491 2.127 . . . . 0.0 112.779 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.67 -42.64 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.681 -0.637 . . . . 0.0 111.075 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.38 -2.65 3.26 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 t -82.67 -23.74 34.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.847 -1.384 . . . . 0.0 109.344 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.45 138.87 58.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.357 -0.84 . . . . 0.0 109.38 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 135.89 56.11 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.663 0.744 . . . . 0.0 109.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -19.56 48.12 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mm -99.5 120.82 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.227 -1.16 . . . . 0.0 108.37 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.79 175.34 35.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -40.01 82.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.157 . . . . 0.0 110.201 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -46.89 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.97 -1.081 . . . . 0.0 109.586 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.1 -37.97 84.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.02 95.09 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.98 -39.42 93.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.18 . . . . 0.0 110.6 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.72 -45.43 82.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.724 -1.235 . . . . 0.0 109.671 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.43 -37.35 85.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.899 -1.126 . . . . 0.0 108.866 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -40.48 89.14 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.912 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -19.19 64.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 108.925 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -90.13 1.25 56.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.521 -0.737 . . . . 0.0 110.602 -178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.51 45.73 Favored Glycine 0 N--CA 1.504 3.215 0 O-C-N 120.926 -1.109 . . . . 0.0 112.148 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.4 74.08 1.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.82 -1.4 . . . . 0.0 107.928 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -82.61 -10.73 58.83 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.932 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -135.78 156.4 48.87 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.074 -1.016 . . . . 0.0 110.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.22 95.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.705 -0.622 . . . . 0.0 112.677 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.21 -19.96 62.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.452 -1.405 . . . . 0.0 111.259 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.35 -31.91 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.15 -38.28 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.99 -40.0 87.69 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.36 84.14 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.2 -43.1 96.19 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.958 -1.319 . . . . 0.0 109.236 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.03 -39.96 87.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.382 -0.824 . . . . 0.0 108.891 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.7 -37.42 82.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.643 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.59 -28.23 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.55 13.13 12.73 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.084 -1.01 . . . . 0.0 110.451 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.23 40.45 10.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.654 -1.279 . . . . 0.0 110.533 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.4 20.01 9.64 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.568 -0.708 . . . . 0.0 111.039 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.02 107.85 3.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.492 -1.38 . . . . 0.0 108.305 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.71 -40.03 95.78 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.23 -39.99 78.21 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.523 -1.361 . . . . 0.0 110.342 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.89 -38.89 76.47 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.94 -48.93 74.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.97 -46.77 88.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 110.797 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.19 -37.12 85.98 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.815 -1.178 . . . . 0.0 108.973 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.456 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -64.44 -46.32 83.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.927 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 tp -69.33 -47.53 64.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.855 -1.153 . . . . 0.0 110.688 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.95 -49.49 77.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.313 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -69.76 -25.7 63.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.375 -0.828 . . . . 0.0 109.711 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -80.59 -34.64 35.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 0.0 111.424 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.3 p -132.99 -29.64 1.44 Allowed 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.464 -1.398 . . . . 0.0 112.004 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.5 14.42 18.05 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.09 153.45 3.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.903 -1.351 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.22 172.98 8.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.165 -0.959 . . . . 0.0 109.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.73 72.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.494 -0.754 . . . . 0.0 111.641 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HZ2' HE22 ' A' ' 73' ' ' GLN . 8.1 ttpm? -71.31 -42.93 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.43 -1.419 . . . . 0.0 110.722 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.495 HE22 ' HZ2' ' A' ' 72' ' ' LYS . 5.4 mp0 -66.84 -35.48 80.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.076 -1.015 . . . . 0.0 110.576 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 t -67.17 -38.6 85.71 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.971 -1.081 . . . . 0.0 110.246 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.97 -37.29 79.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.81 -1.181 . . . . 0.0 109.853 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.73 -37.61 76.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.617 -1.302 . . . . 0.0 110.735 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.95 -41.23 78.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.654 -1.279 . . . . 0.0 109.702 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.72 -59.57 5.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.694 -1.254 . . . . 0.0 109.843 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.27 77.98 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.16 -49.98 62.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.07 -1.253 . . . . 0.0 109.6 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.562 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.04 -42.98 95.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 109.984 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 92.5 mt-10 -69.99 -37.55 75.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -60.02 -42.97 95.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.447 -1.408 . . . . 0.0 107.547 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.66 -40.09 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.747 . . . . 0.0 109.258 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.27 -35.09 74.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 0.0 110.239 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -36.78 18.45 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.113 -0.992 . . . . 0.0 110.372 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.2 m-85 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.354 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.53 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.7 t60 -59.21 -50.54 73.63 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 110.417 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm-85 -69.96 -31.16 68.75 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.304 -0.872 . . . . 0.0 109.827 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.9 -39.41 63.9 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.401 -0.812 . . . . 0.0 110.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.43 -40.0 89.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.83 18.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.976 -1.077 . . . . 0.0 109.383 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.85 -7.05 10.04 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.482 -0.761 . . . . 0.0 110.467 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.78 153.4 31.7 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.799 -1.188 . . . . 0.0 109.865 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.32 158.88 0.19 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.896 1.731 . . . . 0.0 111.718 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.8 ptp -88.4 -20.6 25.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.977 -1.077 . . . . 0.0 109.06 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -140.4 15.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -105.14 29.53 6.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.986 . . . . 0.0 110.14 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -60.96 149.27 81.87 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 120.999 -1.063 . . . . 0.0 108.827 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.3 158.59 56.28 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.502 2.135 . . . . 0.0 112.831 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' B' ' 22' ' ' SER . 5.3 p -55.45 -42.91 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.688 -0.632 . . . . 0.0 111.06 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.08 -2.92 3.08 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.066 -1.021 . . . . 0.0 110.614 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.402 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.8 t -82.46 -23.67 34.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.751 -1.44 . . . . 0.0 109.411 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.45 138.79 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.458 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 136.19 56.46 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.645 0.736 . . . . 0.0 109.873 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.99 -19.47 49.21 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.408 HG22 HD11 ' B' ' 26' ' ' ILE . 40.2 mm -99.66 120.83 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.179 -1.189 . . . . 0.0 108.381 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.68 175.38 35.58 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.62 -40.07 82.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.259 -1.142 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.58 -46.76 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.929 -1.107 . . . . 0.0 109.615 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -37.83 83.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.467 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.1 95.14 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.9 -39.3 93.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.338 -1.095 . . . . 0.0 110.621 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.84 -45.47 82.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.641 -1.287 . . . . 0.0 109.591 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.47 -37.31 85.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.946 -1.096 . . . . 0.0 108.86 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.02 -40.57 89.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 0.0 109.948 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.36 -19.02 64.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.23 -0.918 . . . . 0.0 108.971 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -90.22 1.15 56.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 110.598 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.49 45.38 Favored Glycine 0 N--CA 1.504 3.208 0 O-C-N 120.942 -1.099 . . . . 0.0 112.076 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.29 73.98 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.837 -1.39 . . . . 0.0 107.911 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -82.48 -11.03 58.76 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.914 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -135.52 156.35 49.03 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.032 -1.042 . . . . 0.0 110.057 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.26 95.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.669 -0.645 . . . . 0.0 112.644 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.14 -19.95 62.11 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.429 -1.419 . . . . 0.0 111.349 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -77.26 -32.16 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.96 -38.35 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.98 -39.93 87.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.41 -44.02 85.04 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.58 -42.99 97.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.915 -1.344 . . . . 0.0 109.254 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.94 -39.99 87.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.473 -0.767 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.73 -37.23 81.91 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.476 -0.89 . . . . 0.0 108.643 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.81 -28.33 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.047 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.49 13.07 12.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.058 -1.026 . . . . 0.0 110.384 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.24 40.56 10.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.698 -1.251 . . . . 0.0 110.513 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.47 20.03 9.75 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.506 -0.746 . . . . 0.0 111.06 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -70.17 107.58 3.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.453 -1.404 . . . . 0.0 108.438 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.56 -39.99 95.83 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.25 -40.04 78.11 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.468 -1.395 . . . . 0.0 110.436 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.8 -39.09 76.77 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.002 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.8 -48.93 74.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 109.524 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.01 -46.48 89.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.844 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.47 -37.06 85.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.736 -1.228 . . . . 0.0 108.977 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.467 ' O ' ' OG1' ' B' ' 66' ' ' THR . 63.8 t90 -64.46 -46.38 83.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.29 -47.57 64.19 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.853 -1.155 . . . . 0.0 110.627 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.98 -49.55 77.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.032 -1.043 . . . . 0.0 110.224 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -69.67 -25.82 64.08 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.373 -0.829 . . . . 0.0 109.708 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -80.5 -34.71 35.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 111.501 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 p -132.97 -29.6 1.44 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.439 -1.413 . . . . 0.0 111.924 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.54 14.17 18.64 Favored Glycine 0 N--CA 1.501 3.006 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.99 153.37 3.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.913 -1.346 . . . . 0.0 109.815 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.11 172.96 8.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.19 -0.944 . . . . 0.0 109.821 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.84 73.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.545 -0.722 . . . . 0.0 111.652 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.499 ' HZ2' HE22 ' B' ' 73' ' ' GLN . 8.1 ttpm? -71.34 -42.89 67.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.411 -1.431 . . . . 0.0 110.675 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.499 HE22 ' HZ2' ' B' ' 72' ' ' LYS . 5.5 mp0 -66.88 -35.34 79.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.959 -1.088 . . . . 0.0 110.592 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -67.2 -38.65 85.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.965 -1.084 . . . . 0.0 110.296 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.0 -37.45 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.765 -1.21 . . . . 0.0 109.744 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.52 -37.61 77.19 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.91 -41.29 78.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.673 -1.267 . . . . 0.0 109.732 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.64 -59.59 5.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.765 -1.209 . . . . 0.0 109.779 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -33.07 77.94 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.25 -49.99 62.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.099 -1.236 . . . . 0.0 109.493 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.11 -39.98 75.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 118.979 -1.089 . . . . 0.0 109.639 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -42.95 95.46 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 110.04 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.2 mt-10 -70.03 -37.55 75.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 110.777 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.3 t90 -60.03 -42.93 95.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.575 -1.328 . . . . 0.0 107.657 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.6 -40.08 93.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.588 -0.695 . . . . 0.0 109.284 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.29 -35.18 74.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.489 -0.757 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.67 -36.72 18.57 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.216 -0.928 . . . . 0.0 110.338 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.3 m-85 -105.92 -86.69 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.213 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.786 0.326 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.467 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 45.9 t60 -59.83 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 110.147 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 8' ' ' ARG . 51.8 mtt-85 -69.99 -34.26 73.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.913 . . . . 0.0 110.278 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.1 -37.28 75.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.314 -0.866 . . . . 0.0 109.653 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -62.89 -46.56 87.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.502 -0.749 . . . . 0.0 109.832 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 m -81.58 14.99 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.316 -0.865 . . . . 0.0 110.502 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.95 -9.45 14.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.304 -0.872 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.41 153.81 29.74 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.93 -1.106 . . . . 0.0 109.75 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.69 160.62 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.875 1.716 . . . . 0.0 111.622 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.46 -25.03 20.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 109.767 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.64 -136.84 31.89 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.58 29.91 6.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.448 -1.031 . . . . 0.0 110.648 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -60.49 148.54 80.41 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 120.747 -1.221 . . . . 0.0 108.269 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.34 155.89 67.8 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.12 1.88 . . . . 0.0 112.538 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.5 p -53.81 -46.99 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.621 -0.674 . . . . 0.0 110.834 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.69 -4.07 0.35 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 20' ' ' VAL . 33.8 t -81.14 -19.98 42.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.725 -1.456 . . . . 0.0 109.183 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.29 138.78 58.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.782 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.22 57.19 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.719 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -20.0 52.18 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mm -98.84 114.09 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.154 -1.204 . . . . 0.0 108.032 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.7 179.54 38.62 Favored Glycine 0 N--CA 1.495 2.6 0 O-C-N 120.594 -1.317 . . . . 0.0 110.205 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.513 -0.992 . . . . 0.0 110.169 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.22 -48.21 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.872 -1.143 . . . . 0.0 109.515 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.39 -37.41 85.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 109.226 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.46 -39.2 94.59 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.96 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -1.071 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -65.84 -47.53 74.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.918 -1.114 . . . . 0.0 109.487 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.39 -39.99 96.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 0.0 109.26 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.07 -41.05 91.58 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.539 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.35 -19.43 65.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.367 -0.833 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -90.26 0.47 57.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 111.073 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.31 4.71 40.74 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.979 -1.075 . . . . 0.0 111.717 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -104.99 73.73 1.07 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.818 -1.401 . . . . 0.0 108.251 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.05 -10.13 59.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.426 -0.796 . . . . 0.0 111.259 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -136.84 157.49 46.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.886 -1.134 . . . . 0.0 110.23 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.53 92.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -59.02 -19.24 41.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.415 -1.428 . . . . 0.0 111.2 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -77.86 -34.26 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.367 . . . . 0.0 107.572 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.93 -34.49 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.06 -42.0 94.81 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.96 -45.49 92.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.947 -1.325 . . . . 0.0 109.096 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -39.97 87.79 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.313 -0.867 . . . . 0.0 109.016 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.8 -38.64 80.1 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.43 -26.84 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.235 -0.915 . . . . 0.0 111.171 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.91 15.96 7.68 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.909 -1.12 . . . . 0.0 110.642 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? 50.8 33.22 8.16 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.027 -1.045 . . . . 0.0 110.835 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.486 -0.758 . . . . 0.0 111.013 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.22 117.32 10.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.417 -1.427 . . . . 0.0 108.46 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.06 -40.55 94.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.361 -0.837 . . . . 0.0 113.198 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.93 -39.27 76.22 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.311 -1.493 . . . . 0.0 110.675 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.93 -39.32 76.18 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.199 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.44 -49.52 71.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.897 . . . . 0.0 109.53 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.99 -47.19 86.83 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.74 -37.11 86.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.978 -1.076 . . . . 0.0 109.279 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' A' ' 66' ' ' THR . 53.6 t90 -67.94 -42.78 80.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.38 -46.29 67.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.07 . . . . 0.0 110.699 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.08 -48.9 78.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 0.0 110.533 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.85 -24.87 63.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 0.0 109.736 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 29.1 m -80.2 -34.22 37.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.163 -0.961 . . . . 0.0 110.934 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.533 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 25.6 p -133.06 -27.86 1.59 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.589 -1.319 . . . . 0.0 111.861 -178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.85 13.81 26.57 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.533 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -52.7 154.29 2.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.105 -1.232 . . . . 0.0 109.084 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.52 173.61 7.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.048 . . . . 0.0 110.343 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.02 74.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.688 -0.632 . . . . 0.0 110.431 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.76 -40.95 72.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.72 -1.237 . . . . 0.0 110.034 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.39 -38.63 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.352 -0.842 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -67.63 -38.07 83.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.184 -0.947 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -37.55 80.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.731 -1.231 . . . . 0.0 109.481 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.82 -39.94 83.86 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.709 -1.244 . . . . 0.0 110.785 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.8 -40.01 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.806 -1.184 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.48 -60.49 3.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.621 -1.3 . . . . 0.0 110.322 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.52 -31.55 74.99 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.53 -49.85 56.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.94 -1.329 . . . . 0.0 109.746 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.35 -40.04 70.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.97 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 -62.94 -40.55 98.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.929 -1.107 . . . . 0.0 110.461 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 93.5 mt-10 -70.07 -38.5 75.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.165 -0.959 . . . . 0.0 110.544 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 89.6 t90 -62.39 -45.62 92.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.77 -1.206 . . . . 0.0 109.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.23 -40.1 89.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.332 -0.855 . . . . 0.0 109.571 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.2 -29.02 65.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 109.726 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.18 -34.46 12.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.202 -0.936 . . . . 0.0 110.974 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 . . . . . 0 N--CA 1.505 2.304 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.757 0.313 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 46.3 t60 -59.76 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.746 -1.221 . . . . 0.0 110.102 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.91 -34.32 73.34 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 110.255 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.08 -37.44 75.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.7 -46.68 87.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.805 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.67 15.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.253 -0.904 . . . . 0.0 110.474 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.97 -9.62 14.0 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.37 153.88 29.88 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.01 -1.056 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.68 160.69 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.908 1.739 . . . . 0.0 111.565 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -90.6 -24.84 20.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.013 -1.054 . . . . 0.0 109.661 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.83 30.59 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.49 29.93 6.12 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.406 -1.055 . . . . 0.0 110.593 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -60.52 148.68 80.31 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.756 -1.215 . . . . 0.0 108.271 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 155.93 67.83 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.14 1.893 . . . . 0.0 112.478 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.5 p -53.78 -47.07 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.57 -0.706 . . . . 0.0 110.823 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.73 -3.93 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.495 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.0 t -81.32 -19.9 41.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.857 -1.378 . . . . 0.0 109.089 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.4 138.68 58.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.773 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.21 57.18 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.541 0.686 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 -19.98 52.3 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mm -98.93 114.19 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.111 -1.229 . . . . 0.0 107.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.69 179.59 38.64 Favored Glycine 0 N--CA 1.495 2.592 0 O-C-N 120.625 -1.297 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.537 -0.978 . . . . 0.0 110.119 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.28 -48.19 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.88 -1.137 . . . . 0.0 109.527 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.35 -37.48 85.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.264 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.4 -39.21 94.51 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.98 -39.99 95.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -1.043 . . . . 0.0 110.132 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -65.94 -47.43 74.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.784 -1.198 . . . . 0.0 109.428 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 -39.96 95.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.206 -0.934 . . . . 0.0 109.164 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.06 -41.11 91.63 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.519 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.28 -19.5 65.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -90.26 0.59 57.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.526 -0.734 . . . . 0.0 111.018 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.27 4.68 40.86 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 120.819 -1.176 . . . . 0.0 111.706 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.96 73.7 1.08 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.79 -1.418 . . . . 0.0 108.284 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.16 -10.01 59.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.439 -0.788 . . . . 0.0 111.315 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.86 157.48 46.65 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.895 -1.128 . . . . 0.0 110.232 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.43 92.28 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -58.96 -19.41 42.87 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.369 -1.457 . . . . 0.0 111.1 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -77.9 -34.16 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.519 -1.363 . . . . 0.0 107.514 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.99 -34.46 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.01 -39.29 85.3 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.07 94.5 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.98 -45.53 92.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.943 -1.328 . . . . 0.0 109.021 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.386 -0.821 . . . . 0.0 109.06 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.75 -38.73 80.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.727 -0.789 . . . . 0.0 108.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.39 -26.74 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -89.03 16.12 7.58 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.868 -1.145 . . . . 0.0 110.579 -178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 50.56 33.34 7.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.913 -1.117 . . . . 0.0 110.813 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.0 19.98 9.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.612 -0.68 . . . . 0.0 111.024 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.24 117.28 10.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.358 -1.464 . . . . 0.0 108.434 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.98 -40.75 95.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.397 -0.814 . . . . 0.0 113.16 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.66 -39.32 77.13 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.375 -1.453 . . . . 0.0 110.776 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.97 -39.2 76.11 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.282 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -64.54 -49.47 71.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 109.53 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.1 -47.32 86.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.415 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.57 -37.12 86.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.053 -1.029 . . . . 0.0 109.314 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.457 ' O ' ' OG1' ' B' ' 66' ' ' THR . 52.8 t90 -68.03 -42.63 80.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.55 -46.3 66.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.902 -1.124 . . . . 0.0 110.578 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.0 -48.93 78.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.038 -1.039 . . . . 0.0 110.562 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.82 -24.91 63.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.697 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 29.4 m -80.25 -34.27 37.26 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.199 -0.938 . . . . 0.0 110.947 -178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.539 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 25.5 p -132.95 -27.93 1.6 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.58 -1.325 . . . . 0.0 111.783 -178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.9 13.91 26.25 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . 0.539 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -52.76 154.33 2.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.019 -1.283 . . . . 0.0 109.107 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.6 173.55 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.045 -1.034 . . . . 0.0 110.379 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.99 74.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.631 -0.668 . . . . 0.0 110.536 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.8 -40.93 72.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.712 -1.243 . . . . 0.0 110.049 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.5 -38.46 84.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.419 -0.801 . . . . 0.0 110.892 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -67.73 -38.06 83.05 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.13 -0.981 . . . . 0.0 110.447 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.13 -37.35 79.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.776 -1.202 . . . . 0.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.01 -40.01 83.06 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.776 -1.203 . . . . 0.0 110.731 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.67 -40.13 80.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.814 -1.179 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.44 -60.4 3.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.656 -1.277 . . . . 0.0 110.362 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -31.58 75.55 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -68.52 -49.76 57.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.017 -1.284 . . . . 0.0 109.753 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -71.34 -40.07 70.93 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.945 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 82' ' ' ARG . 35.9 ttt-85 -63.04 -40.55 98.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.989 -1.069 . . . . 0.0 110.418 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 93.4 mt-10 -69.95 -38.53 76.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.103 -0.998 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 89.8 t90 -62.48 -45.56 92.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.681 -1.262 . . . . 0.0 109.259 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.9 m -60.15 -40.09 88.65 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.258 -0.901 . . . . 0.0 109.594 -178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.29 -28.92 65.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.16 -34.45 12.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.203 -0.936 . . . . 0.0 111.015 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -111.63 -10.08 14.12 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 85' ' ' CYS . 21.8 tp . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.157 -1.589 . . . . 0.0 109.464 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.99 -52.4 65.53 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.166 -0.959 . . . . 0.0 110.284 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -69.95 -33.31 71.95 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.964 -1.085 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -64.59 -39.98 94.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.949 -1.094 . . . . 0.0 108.539 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.12 -46.8 85.61 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.776 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -93.06 7.79 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 120.928 -1.108 . . . . 0.0 111.4 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.09 -20.73 17.17 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.945 -1.097 . . . . 0.0 108.808 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -149.47 151.17 32.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.26 160.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.786 1.658 . . . . 0.0 111.85 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ptp -89.31 -27.37 20.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.976 . . . . 0.0 109.457 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.91 -139.95 35.65 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.08 31.4 4.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.486 -1.008 . . . . 0.0 110.058 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.01 148.09 78.27 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.069 -1.019 . . . . 0.0 108.404 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.77 155.68 65.98 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.453 2.102 . . . . 0.0 112.808 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.08 -39.0 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.598 -0.689 . . . . 0.0 110.4 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.35 -3.4 9.26 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -80.8 -17.46 50.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.041 -1.27 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.28 133.16 52.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.36 -0.838 . . . . 0.0 109.55 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 137.43 58.24 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.907 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.3 -20.15 51.06 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 26' ' ' ILE . 31.7 mm -100.01 120.0 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 121.183 -1.187 . . . . 0.0 108.619 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.9 177.0 39.79 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 120.713 -1.242 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -40.02 82.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.606 -0.938 . . . . 0.0 111.097 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -43.76 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.722 -1.236 . . . . 0.0 109.471 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.62 -37.64 82.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.306 -0.872 . . . . 0.0 109.38 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.91 96.19 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -63.66 -38.15 90.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -1.15 . . . . 0.0 110.348 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.87 -44.16 81.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.757 -1.214 . . . . 0.0 109.92 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.21 -39.47 94.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.95 -1.094 . . . . 0.0 109.156 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -42.2 93.88 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.769 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.72 -19.37 65.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 108.839 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 37' ' ' ARG . 34.5 mtt-85 -89.98 1.86 55.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.398 -0.814 . . . . 0.0 110.458 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.59 4.6 49.22 Favored Glycine 0 N--CA 1.502 3.081 0 O-C-N 121.128 -0.983 . . . . 0.0 111.833 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.01 74.3 1.3 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.822 -1.399 . . . . 0.0 108.572 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -82.36 -12.66 57.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.391 -0.818 . . . . 0.0 110.294 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.58 149.86 50.45 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.228 -0.92 . . . . 0.0 109.555 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.04 94.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.54 -0.725 . . . . 0.0 111.22 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -58.86 -18.97 37.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.215 . . . . 0.0 111.327 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.79 -32.61 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.422 -1.424 . . . . 0.0 107.321 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.91 -34.88 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.05 -41.62 98.08 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.23 -40.16 89.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.921 -1.341 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -38.98 81.65 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.29 -30.49 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.326 -0.859 . . . . 0.0 110.73 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.75 13.8 9.86 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.969 -1.082 . . . . 0.0 110.299 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 49.91 35.83 10.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.892 -1.13 . . . . 0.0 109.745 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 60.11 20.91 10.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.563 -0.711 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -67.57 111.81 4.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.54 -1.35 . . . . 0.0 108.007 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.01 -40.02 94.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.343 -0.848 . . . . 0.0 112.704 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.4 m-20 -67.97 -39.98 83.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.531 -1.356 . . . . 0.0 109.905 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.02 -39.03 76.04 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.415 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.86 -46.35 82.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.6 mtm180 -60.04 -46.44 89.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.036 -1.04 . . . . 0.0 111.313 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -64.47 -36.05 82.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.694 -1.254 . . . . 0.0 109.051 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.456 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -62.44 -49.53 75.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -49.24 62.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.005 -1.06 . . . . 0.0 110.59 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.12 -47.21 83.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.933 . . . . 0.0 109.936 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.0 t0 -67.91 -27.6 66.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.535 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 22.5 m -78.98 -37.06 40.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 111.472 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.32 -23.59 2.65 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.629 -1.294 . . . . 0.0 112.275 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 13.33 30.31 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 155.43 2.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.188 -1.183 . . . . 0.0 109.448 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -88.01 169.65 11.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.987 -1.071 . . . . 0.0 109.467 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -28.29 69.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.434 -0.791 . . . . 0.0 110.683 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.14 -42.41 72.59 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.807 -1.183 . . . . 0.0 110.402 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.895 . . . . 0.0 110.748 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.26 -39.12 89.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.898 -1.126 . . . . 0.0 110.303 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -59.92 -38.86 83.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.811 -1.181 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.82 -38.21 79.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.866 -1.147 . . . . 0.0 110.568 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.36 -39.91 81.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.823 -1.173 . . . . 0.0 109.496 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.94 -60.41 3.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.026 -1.046 . . . . 0.0 109.975 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.37 -33.23 83.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.0 t -68.77 -49.15 61.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.997 -1.296 . . . . 0.0 109.727 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.385 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -62.39 -40.86 97.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 110.275 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.09 -36.69 80.2 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.031 -1.043 . . . . 0.0 109.825 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.501 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 68.0 t90 -59.82 -43.37 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.66 -1.275 . . . . 0.0 107.659 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 m -61.59 -40.63 95.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.418 -0.801 . . . . 0.0 108.84 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.36 -39.56 87.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.49 -38.82 16.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.142 -0.974 . . . . 0.0 110.674 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.3 m-85 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.201 -0.937 . . . . 0.0 110.517 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -59.98 -52.44 65.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.031 -1.043 . . . . 0.0 110.313 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.0 -33.21 71.73 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.978 -1.076 . . . . 0.0 110.241 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.75 -40.13 94.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.972 -1.08 . . . . 0.0 108.392 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.62 -46.93 85.98 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.901 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.38 8.34 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.824 -1.172 . . . . 0.0 111.501 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.39 -20.99 16.83 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.018 -1.051 . . . . 0.0 108.665 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -149.33 151.16 33.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.29 160.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.79 1.66 . . . . 0.0 111.807 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -89.56 -26.92 20.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.131 -0.98 . . . . 0.0 109.509 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.43 -140.23 33.3 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -104.73 31.41 4.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.503 -0.998 . . . . 0.0 110.196 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.98 148.24 77.67 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 120.994 -1.067 . . . . 0.0 108.399 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.73 155.65 66.01 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.426 2.084 . . . . 0.0 112.884 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.08 -39.09 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.68 -0.638 . . . . 0.0 110.307 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.3 -3.04 8.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -81.16 -17.62 49.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.328 . . . . 0.0 108.895 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.24 133.05 52.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.825 . . . . 0.0 109.57 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.58 136.93 58.19 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.043 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.73 -19.89 51.59 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 26' ' ' ILE . 32.0 mm -100.14 119.98 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.223 -1.163 . . . . 0.0 108.501 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.82 176.94 39.86 Favored Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.754 -1.216 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.73 -39.96 82.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.919 . . . . 0.0 111.105 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -44.02 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.712 -1.242 . . . . 0.0 109.398 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.43 -37.51 83.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.39 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.03 96.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -63.53 -38.6 91.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.205 -1.174 . . . . 0.0 110.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.11 -39.44 94.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.258 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.848 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.73 -19.48 65.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 0.0 108.805 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' B' ' 37' ' ' ARG . 34.4 mtt-85 -90.02 2.52 55.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.442 -0.786 . . . . 0.0 110.413 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.07 4.61 50.85 Favored Glycine 0 N--CA 1.502 3.088 0 C-N-CA 120.224 -0.989 . . . . 0.0 111.868 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.22 74.66 1.3 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.903 -1.351 . . . . 0.0 108.546 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -82.88 -12.36 57.46 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.304 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.7 150.08 50.41 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.228 -0.92 . . . . 0.0 109.558 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.65 92.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.556 -0.715 . . . . 0.0 111.211 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -59.15 -19.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.77 -1.206 . . . . 0.0 111.297 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.67 -32.05 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.517 -1.364 . . . . 0.0 107.408 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.28 -34.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -59.98 -37.87 80.91 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.77 98.03 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.951 -1.323 . . . . 0.0 109.039 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.96 -39.95 87.36 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -39.46 81.51 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.81 -30.3 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.417 -0.802 . . . . 0.0 110.816 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -88.1 14.33 9.38 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.106 -0.996 . . . . 0.0 110.31 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 49.6 35.87 9.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.839 -1.163 . . . . 0.0 109.638 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 60.03 20.29 9.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.97 111.89 4.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.536 -1.352 . . . . 0.0 107.934 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.15 -40.17 94.0 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.307 -0.87 . . . . 0.0 112.652 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.3 m-20 -67.76 -39.86 84.13 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.404 -1.435 . . . . 0.0 109.969 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.96 -38.98 76.27 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.434 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -65.1 -46.21 81.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.7 mtm180 -59.98 -47.12 87.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.653 -1.279 . . . . 0.0 109.231 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.463 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.2 t90 -62.72 -49.25 75.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 111.464 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -68.18 -49.54 60.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.119 -0.988 . . . . 0.0 110.5 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.78 -47.32 84.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.112 -0.993 . . . . 0.0 109.959 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.88 -27.6 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 22.4 m -79.03 -37.04 40.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 111.452 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.16 -24.07 2.64 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.64 -1.288 . . . . 0.0 112.288 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.91 13.89 28.23 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.62 155.47 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -1.187 . . . . 0.0 109.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -87.99 169.63 11.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.986 -1.071 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.0 69.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.433 -0.792 . . . . 0.0 110.645 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.34 -42.49 71.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.848 -1.158 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.02 -36.58 82.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 0.0 110.797 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.52 -38.91 88.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.036 -1.04 . . . . 0.0 110.283 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.0 -38.57 83.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.738 -1.226 . . . . 0.0 109.563 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.13 -38.57 78.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.72 -1.238 . . . . 0.0 110.515 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -67.98 -40.05 83.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.846 -1.159 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.88 -60.27 4.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.968 -1.082 . . . . 0.0 110.09 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.06 83.48 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.82 -49.19 60.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.984 -1.303 . . . . 0.0 109.749 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.26 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.6 -40.44 96.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.152 -0.967 . . . . 0.0 110.256 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.044 -1.035 . . . . 0.0 109.809 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.51 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 68.0 t90 -59.95 -43.23 95.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.687 -1.258 . . . . 0.0 107.716 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 m -61.73 -40.59 95.62 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.67 -39.03 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.57 -0.706 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.81 -39.03 16.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 110.595 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -104.31 -85.84 0.46 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.423 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.331 -179.538 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.136 0.493 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.492 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.7 t60 -59.61 -51.83 68.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -70.02 -33.95 72.66 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.916 -1.115 . . . . 0.0 109.982 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -71.1 -38.49 72.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.552 -0.718 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.93 -41.33 82.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.0 110.236 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.47 13.4 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 109.558 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.48 -9.3 13.82 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.497 -0.752 . . . . 0.0 110.882 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.52 153.85 28.52 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 120.862 -1.149 . . . . 0.0 109.276 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.74 160.35 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.829 1.686 . . . . 0.0 111.478 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.8 ptp -88.54 -20.96 24.39 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.8 -140.02 16.73 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -102.4 27.58 6.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.403 -1.057 . . . . 0.0 110.719 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -60.43 149.88 75.54 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.887 -1.133 . . . . 0.0 108.697 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 159.99 51.31 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.338 2.025 . . . . 0.0 112.493 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.1 p -55.01 -47.57 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.656 -0.653 . . . . 0.0 110.556 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.0 -4.12 0.15 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 20' ' ' VAL . 14.8 t -82.91 -21.43 34.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.738 -1.448 . . . . 0.0 109.607 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 136.37 57.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.459 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 138.84 58.67 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.674 0.75 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.07 -16.51 60.78 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -100.91 116.66 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.352 -1.087 . . . . 0.0 108.315 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.71 178.24 37.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -59.45 -40.12 85.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -1.079 . . . . 0.0 110.215 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.09 -45.72 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.882 -1.136 . . . . 0.0 108.992 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.25 -37.05 86.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.503 -0.748 . . . . 0.0 109.279 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.96 95.42 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.01 -40.03 95.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -1.175 . . . . 0.0 110.419 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.94 -48.82 67.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.761 -1.212 . . . . 0.0 109.664 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.37 -40.01 92.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.994 -1.066 . . . . 0.0 109.221 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -41.26 91.78 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.623 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.53 -19.4 64.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 109.112 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -90.02 -0.01 57.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.53 -0.731 . . . . 0.0 110.33 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.66 3.61 43.19 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.023 -1.048 . . . . 0.0 111.887 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.75 75.06 1.27 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.827 -1.396 . . . . 0.0 108.148 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -82.22 -10.42 59.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 111.131 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.7 159.27 42.53 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.937 -1.102 . . . . 0.0 110.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.33 88.96 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.36 -20.08 58.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 111.652 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.47 -33.46 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.407 -1.433 . . . . 0.0 107.503 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.11 -38.39 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.0 -39.88 87.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.33 -47.3 56.47 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -60.76 -42.96 98.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.068 -1.254 . . . . 0.0 109.596 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.01 -41.29 91.83 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.208 -0.932 . . . . 0.0 108.792 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.49 -37.88 83.52 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.12 -25.58 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 14.11 10.5 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.949 -1.094 . . . . 0.0 110.242 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.0 36.68 8.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.894 -1.129 . . . . 0.0 110.396 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.04 20.4 9.55 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.437 -0.789 . . . . 0.0 110.841 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.54 114.56 5.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.22 -1.55 . . . . 0.0 108.207 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.48 -42.37 92.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.368 -0.832 . . . . 0.0 112.77 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.7 m-20 -68.74 -39.78 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.561 -1.337 . . . . 0.0 110.061 -178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.03 -38.79 75.98 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.015 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.08 -48.01 77.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.0 109.845 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.8 mtm180 -60.06 -46.94 87.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.267 -0.896 . . . . 0.0 111.334 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.09 -35.68 81.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.66 -1.275 . . . . 0.0 109.238 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.455 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.9 t90 -61.64 -49.22 77.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 111.512 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.09 -45.1 74.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.813 -1.179 . . . . 0.0 110.37 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.66 -49.18 76.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.012 -1.055 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 29.8 t0 -67.15 -29.63 69.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.524 -0.735 . . . . 0.0 109.42 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.8 m -76.63 -35.57 57.95 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.512 -0.742 . . . . 0.0 111.004 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.19 -31.4 1.12 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.676 -1.265 . . . . 0.0 112.243 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.74 17.65 8.97 Favored Glycine 0 N--CA 1.503 3.132 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 153.53 2.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.093 -1.24 . . . . 0.0 109.453 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.29 170.64 10.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.062 -1.024 . . . . 0.0 109.843 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.44 70.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.532 -0.73 . . . . 0.0 110.998 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.49 -41.41 66.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.877 -1.139 . . . . 0.0 110.695 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -38.12 85.11 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.23 -0.919 . . . . 0.0 110.746 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.8 m -66.19 -36.79 84.01 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.946 . . . . 0.0 109.737 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -60.07 -38.96 84.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.977 -1.077 . . . . 0.0 109.491 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -68.43 -39.93 81.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.794 -1.191 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.94 -39.94 79.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.689 -1.257 . . . . 0.0 109.85 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -60.41 3.86 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.727 -1.233 . . . . 0.0 110.136 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.63 81.91 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.65 -44.97 72.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.282 . . . . 0.0 109.821 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.92 -39.03 76.38 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.936 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.37 -40.58 91.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 0.0 110.016 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 98.2 mt-10 -69.96 -39.16 76.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.207 -0.933 . . . . 0.0 110.92 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.6 t90 -61.82 -46.92 87.41 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.393 -1.442 . . . . 0.0 108.402 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -60.1 -40.04 88.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -0.824 . . . . 0.0 109.839 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.48 -31.9 69.77 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.134 -0.979 . . . . 0.0 110.05 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.65 -31.71 15.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.163 -0.961 . . . . 0.0 110.718 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 89.1 m-85 . . . . . 0 N--CA 1.503 2.218 0 O-C-N 121.258 -0.901 . . . . 0.0 111.913 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.209 0.528 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.6 t60 -59.65 -51.87 67.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.071 -1.018 . . . . 0.0 110.819 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -70.15 -33.7 72.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.87 -1.144 . . . . 0.0 109.873 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.29 -38.15 71.8 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.517 -0.74 . . . . 0.0 110.115 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -68.27 -41.14 81.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.149 -0.969 . . . . 0.0 110.278 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.64 13.2 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.021 -1.049 . . . . 0.0 109.521 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.28 -9.17 13.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.763 . . . . 0.0 110.781 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -154.59 153.92 28.54 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.735 -1.228 . . . . 0.0 109.369 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -43.75 160.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.472 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.9 ptp -88.45 -21.0 24.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.982 -1.074 . . . . 0.0 109.709 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.99 -140.04 17.75 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -102.44 27.93 6.4 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.491 -1.006 . . . . 0.0 110.592 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -60.74 149.9 77.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.849 -1.157 . . . . 0.0 108.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.72 159.94 51.58 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.328 2.018 . . . . 0.0 112.521 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -55.02 -47.51 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.684 -0.635 . . . . 0.0 110.556 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.1 -4.22 0.17 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 20' ' ' VAL . 15.1 t -82.69 -21.43 34.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.716 -1.461 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.48 136.54 57.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -0.997 . . . . 0.0 109.49 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.608 0.718 . . . . 0.0 109.698 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 -16.66 60.39 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 26' ' ' ILE . 38.5 mm -100.9 116.58 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.328 -1.101 . . . . 0.0 108.32 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.72 178.33 37.86 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.51 -40.04 85.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -1.086 . . . . 0.0 110.362 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.17 -45.68 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 108.995 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.27 -37.0 85.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.456 -0.777 . . . . 0.0 109.301 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.45 -40.04 95.65 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.92 -39.89 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -1.105 . . . . 0.0 110.483 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.97 -48.58 68.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.621 -1.299 . . . . 0.0 109.809 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.58 -39.88 92.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.856 -1.152 . . . . 0.0 109.194 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -41.23 91.93 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.611 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.6 -19.28 64.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.295 -0.878 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.98 -0.1 57.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.756 . . . . 0.0 110.329 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.51 3.55 43.69 Favored Glycine 0 N--CA 1.504 3.223 0 O-C-N 121.08 -1.012 . . . . 0.0 111.89 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.57 74.9 1.28 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.794 -1.415 . . . . 0.0 108.225 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -81.87 -10.78 59.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.469 -0.77 . . . . 0.0 111.132 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.42 159.12 42.87 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.62 88.01 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.01 -20.15 56.29 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.418 -1.426 . . . . 0.0 111.63 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.42 -33.67 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.343 -1.473 . . . . 0.0 107.551 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.95 -38.27 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.56 -46.81 58.48 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.98 -42.97 99.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.54 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -60.1 -41.3 92.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.918 . . . . 0.0 108.781 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.44 -37.96 83.81 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.06 -25.73 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.327 -0.858 . . . . 0.0 110.674 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.32 14.01 10.42 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.866 -1.146 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 48.99 36.8 9.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.854 -1.154 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 59.88 20.55 9.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.444 -0.785 . . . . 0.0 110.866 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -66.66 114.27 5.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.284 -1.51 . . . . 0.0 108.262 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.25 -42.14 93.61 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.819 . . . . 0.0 112.827 -178.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.4 m-20 -68.96 -39.95 79.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.592 -1.318 . . . . 0.0 110.064 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.8 -38.91 76.79 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.085 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.91 -48.03 78.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.815 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.6 mtm180 -60.06 -46.7 88.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 111.467 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.2 -36.0 82.65 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.749 -1.22 . . . . 0.0 109.285 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -61.39 -49.27 77.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.133 -0.98 . . . . 0.0 111.58 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.02 -44.98 75.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.906 -1.122 . . . . 0.0 110.427 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.78 -49.13 76.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.325 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.15 -29.81 69.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.454 -0.779 . . . . 0.0 109.409 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 52.5 m -76.44 -35.92 58.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.409 -0.807 . . . . 0.0 111.005 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.02 -31.42 1.14 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.652 -1.28 . . . . 0.0 112.302 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.88 17.33 9.11 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.17 153.59 2.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.44 170.71 10.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.111 -0.993 . . . . 0.0 109.855 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.52 70.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.499 -0.75 . . . . 0.0 110.868 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.53 -41.27 66.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.937 -1.102 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.0 -38.3 85.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.862 . . . . 0.0 110.742 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -66.0 -36.8 84.27 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.186 -0.946 . . . . 0.0 109.784 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -60.04 -38.94 84.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.947 -1.096 . . . . 0.0 109.57 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.33 -39.91 81.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.782 -1.199 . . . . 0.0 110.822 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.98 -40.06 79.04 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.704 -1.247 . . . . 0.0 109.77 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.98 -60.45 3.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.657 -1.277 . . . . 0.0 110.092 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.39 -32.74 82.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.54 -45.08 73.12 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.255 . . . . 0.0 109.79 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.03 -39.05 75.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.977 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.18 -40.69 90.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.951 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.49 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 98.3 mt-10 -69.99 -39.14 76.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.823 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.1 t90 -61.58 -47.16 86.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.415 -1.428 . . . . 0.0 108.399 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' B' ' 89' ' ' LEU . 35.5 m -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.465 -0.772 . . . . 0.0 109.951 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.44 -32.0 69.81 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.165 -0.959 . . . . 0.0 110.058 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.55 -31.64 15.13 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.149 -0.969 . . . . 0.0 110.803 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 89.0 m-85 -111.13 2.32 17.79 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.266 -0.896 . . . . 0.0 111.779 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.2 tp . . . . . 0 N--CA 1.501 2.075 0 O-C-N 120.731 -1.23 . . . . 0.0 109.375 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.02 -51.31 70.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 110.75 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -69.94 -32.0 70.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.165 -0.96 . . . . 0.0 109.818 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -72.56 -39.68 67.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.458 -0.776 . . . . 0.0 110.446 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.74 -40.0 84.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 110.285 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.98 17.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.058 . . . . 0.0 110.02 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.41 -5.35 9.85 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.411 -0.806 . . . . 0.0 110.593 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.76 150.04 22.23 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.733 -1.229 . . . . 0.0 109.789 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -41.94 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.195 1.93 . . . . 0.0 111.867 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.8 ptp -92.47 -21.15 20.33 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.072 -1.018 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.97 -139.96 32.06 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -104.8 32.26 4.26 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.478 -1.013 . . . . 0.0 109.906 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.07 149.65 73.62 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.979 -1.076 . . . . 0.0 109.296 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.31 156.95 64.04 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.09 -41.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.539 -0.726 . . . . 0.0 110.379 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.43 -4.38 9.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t -81.55 -21.4 38.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.706 -1.467 . . . . 0.0 109.195 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.33 141.04 58.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.699 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 135.17 56.59 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.712 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.42 -22.84 34.86 Favored Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 26' ' ' ILE . 25.6 mm -98.76 120.02 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.013 -1.286 . . . . 0.0 108.695 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.42 178.2 38.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.5 -40.04 81.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -1.135 . . . . 0.0 109.982 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.63 -45.78 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.419 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.87 -36.84 84.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 109.521 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.44 95.66 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.73 -39.91 95.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -1.099 . . . . 0.0 110.725 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -66.99 -48.92 66.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.637 -1.289 . . . . 0.0 110.181 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.42 -39.7 88.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.058 -1.026 . . . . 0.0 108.908 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.96 -45.77 91.58 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.814 -0.755 . . . . 0.0 109.955 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.76 -19.08 65.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.12 -0.988 . . . . 0.0 108.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 37' ' ' ARG . 30.2 mtt-85 -89.66 0.94 56.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 110.586 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.71 3.31 43.13 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.086 -1.009 . . . . 0.0 111.837 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.42 74.58 1.18 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.79 -1.418 . . . . 0.0 108.149 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -82.2 -9.98 59.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.79 . . . . 0.0 110.553 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.92 156.84 48.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.197 -0.939 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -60.87 -19.33 60.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.376 -1.453 . . . . 0.0 111.642 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.3 t -78.08 -32.69 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.357 -1.465 . . . . 0.0 107.379 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.9 -38.16 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.89 -40.4 96.78 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -41.12 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.017 -1.284 . . . . 0.0 108.711 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.99 -40.04 87.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.29 -38.74 81.98 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.92 -30.65 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.391 -0.818 . . . . 0.0 110.144 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.46 15.51 7.79 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.23 33.14 6.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.901 -1.125 . . . . 0.0 110.147 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 60.68 20.1 10.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.853 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -66.28 115.77 6.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.562 -1.337 . . . . 0.0 107.998 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.1 tt0 -66.79 -40.94 88.3 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.134 -0.979 . . . . 0.0 112.985 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.93 -40.03 79.25 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.69 -1.256 . . . . 0.0 109.628 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.95 -38.39 76.11 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.41 -47.18 83.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.481 -0.762 . . . . 0.0 109.819 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 99.0 mtt180 -59.96 -46.16 90.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.367 -0.833 . . . . 0.0 111.307 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.36 -36.47 83.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.594 -1.316 . . . . 0.0 108.931 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -63.66 -46.64 84.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.277 -0.889 . . . . 0.0 110.699 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.65 -47.64 68.97 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -59.98 -48.49 81.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 26.6 t0 -68.39 -31.8 71.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 0.0 109.717 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.2 m -75.49 -38.97 59.16 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.927 . . . . 0.0 111.824 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -133.47 -30.86 1.26 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.273 -1.517 . . . . 0.0 112.405 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.23 15.44 12.63 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.44 153.26 1.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.885 -1.362 . . . . 0.0 109.084 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.92 172.28 8.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.87 -1.144 . . . . 0.0 109.729 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.67 73.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.5 -39.96 70.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.921 -1.112 . . . . 0.0 109.625 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.75 -39.47 87.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.473 -0.767 . . . . 0.0 110.8 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 p -66.78 -38.57 86.8 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.063 -1.023 . . . . 0.0 109.969 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.01 -37.93 81.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.875 -1.141 . . . . 0.0 109.691 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -67.84 -38.82 83.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.642 -1.286 . . . . 0.0 110.608 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.822 -1.174 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.01 -59.68 5.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.627 -1.295 . . . . 0.0 110.128 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -59.99 -32.33 75.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.94 -50.87 45.51 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.201 -1.176 . . . . 0.0 109.694 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.89 -40.02 72.47 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.587 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.93 -40.83 94.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.042 -1.037 . . . . 0.0 110.386 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -69.99 -38.62 76.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.738 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.5 t90 -60.18 -46.29 90.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.358 -1.464 . . . . 0.0 108.405 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.04 -40.03 87.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.0 109.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.96 -35.2 74.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.401 -0.812 . . . . 0.0 110.394 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -34.95 18.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.968 -1.082 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.7 m-85 . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.28 -0.887 . . . . 0.0 110.194 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.93 -51.29 70.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.935 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.05 -31.9 69.75 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -72.63 -39.64 67.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -67.84 -39.95 83.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.306 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.3 m -83.06 17.86 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.45 -5.44 9.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.376 -0.828 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.69 150.05 22.36 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.786 -1.196 . . . . 0.0 109.744 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.01 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.243 1.962 . . . . 0.0 111.817 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.9 ptp -92.62 -20.8 20.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.045 -1.034 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.53 -139.94 30.2 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.75 32.5 4.09 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.437 -1.037 . . . . 0.0 109.888 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.43 149.84 75.7 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.972 -1.08 . . . . 0.0 109.291 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.41 156.85 64.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.574 2.183 . . . . 0.0 112.593 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -55.02 -41.7 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.473 -0.767 . . . . 0.0 110.37 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.3 -4.37 8.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -81.67 -21.17 38.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.735 -1.45 . . . . 0.0 109.276 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.49 141.04 58.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.245 -0.909 . . . . 0.0 109.684 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 135.16 56.54 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.663 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.39 -22.72 35.28 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.415 HD11 HG22 ' B' ' 26' ' ' ILE . 25.7 mm -98.77 120.07 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.998 -1.295 . . . . 0.0 108.583 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 178.22 38.16 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.65 -39.9 81.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.337 -1.096 . . . . 0.0 110.024 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.63 -45.84 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 109.431 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.77 -36.89 84.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 109.529 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.41 95.59 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.68 -40.09 95.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.687 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -66.83 -48.97 67.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.624 -1.297 . . . . 0.0 110.175 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.56 -39.42 87.9 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.035 -1.041 . . . . 0.0 108.954 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.08 -45.9 91.36 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.836 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.62 -19.12 65.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 108.962 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 37' ' ' ARG . 30.1 mtt-85 -89.47 0.74 56.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.166 -0.959 . . . . 0.0 110.667 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.87 3.37 42.58 Favored Glycine 0 N--CA 1.504 3.203 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.772 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -104.57 74.46 1.16 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.395 . . . . 0.0 108.125 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -81.98 -10.14 59.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.488 -0.757 . . . . 0.0 110.575 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.79 156.97 47.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.129 -0.982 . . . . 0.0 110.08 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.4 89.7 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -60.64 -19.62 58.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.358 -1.464 . . . . 0.0 111.655 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 51.0 t -78.08 -32.6 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.392 -1.442 . . . . 0.0 107.415 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.86 -38.23 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.8 tp -60.09 -39.08 84.87 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.88 -40.44 96.81 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -41.19 91.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.998 -1.295 . . . . 0.0 108.732 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.34 -38.66 81.72 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.01 -30.47 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 0.0 110.16 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.72 15.64 7.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.07 -1.019 . . . . 0.0 109.978 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.21 32.97 6.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.864 -1.147 . . . . 0.0 110.246 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 60.78 20.12 10.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.656 -0.653 . . . . 0.0 110.803 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.41 115.84 6.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.692 -1.255 . . . . 0.0 107.892 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.1 tt0 -66.84 -41.09 88.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.156 -0.965 . . . . 0.0 113.007 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.78 -39.94 79.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.811 -1.181 . . . . 0.0 109.671 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.97 -38.44 76.06 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.336 -0.946 . . . . 0.0 108.774 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.39 -47.08 83.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.449 -0.782 . . . . 0.0 109.894 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 99.0 mtt180 -60.03 -46.16 90.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 0.0 111.33 -178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.27 -36.66 84.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.695 -1.253 . . . . 0.0 108.922 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.463 ' O ' ' OG1' ' B' ' 66' ' ' THR . 63.6 t90 -63.54 -46.58 85.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 110.738 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.78 -47.57 68.8 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.094 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.08 -48.41 81.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 26.2 t0 -68.49 -31.66 71.1 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.691 -0.631 . . . . 0.0 109.676 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 52.6 m -75.47 -39.05 59.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.0 111.854 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.0 p -133.41 -31.0 1.25 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.393 -1.442 . . . . 0.0 112.322 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.15 15.63 12.45 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.63 153.31 1.21 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.937 -1.331 . . . . 0.0 109.048 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.79 172.25 9.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.802 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.92 73.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.498 -0.751 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.41 -39.91 70.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.943 -1.098 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.72 -39.58 88.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.443 -0.785 . . . . 0.0 110.765 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 11.2 p -66.68 -38.52 86.96 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.122 -0.986 . . . . 0.0 110.055 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -59.96 -37.94 81.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.05 -38.57 82.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.649 -1.282 . . . . 0.0 110.593 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.42 -40.02 85.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.852 -1.155 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.01 -59.52 5.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.587 -1.321 . . . . 0.0 110.075 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -60.09 -32.29 75.5 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.09 -50.85 44.54 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.225 -1.162 . . . . 0.0 109.605 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.84 -40.02 72.62 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.559 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -61.14 -40.77 95.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.0 -1.062 . . . . 0.0 110.31 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.0 -38.69 76.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 110.612 -179.303 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.0 t90 -60.2 -46.14 90.74 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.358 -1.464 . . . . 0.0 108.482 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.414 -0.804 . . . . 0.0 109.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.0 -35.15 74.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.476 -0.765 . . . . 0.0 110.425 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.13 18.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.071 -1.018 . . . . 0.0 110.263 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.0 m-85 -104.87 -85.81 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.33 -0.856 . . . . 0.0 110.288 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.971 -1.081 . . . . 0.0 109.124 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -59.59 -49.19 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.166 -0.959 . . . . 0.0 110.461 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -69.97 -31.73 69.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.953 -1.092 . . . . 0.0 109.772 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.92 -38.89 69.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -67.36 -39.95 85.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 110.211 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.76 16.78 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.326 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.68 -4.63 9.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.342 -0.849 . . . . 0.0 110.663 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.28 150.48 23.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.768 -1.207 . . . . 0.0 109.282 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -42.23 159.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.708 1.605 . . . . 0.0 111.472 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.39 -21.93 21.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.885 -1.134 . . . . 0.0 109.051 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.92 -137.38 27.89 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.39 33.57 4.25 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.653 -0.91 . . . . 0.0 110.272 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -60.02 150.01 71.71 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.108 -0.995 . . . . 0.0 109.045 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.2 152.42 81.3 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.216 1.944 . . . . 0.0 112.083 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.89 -40.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.535 -0.728 . . . . 0.0 110.419 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.52 -4.3 12.7 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -82.5 -22.66 34.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.792 -1.417 . . . . 0.0 109.2 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.19 139.2 58.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.967 . . . . 0.0 109.391 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 139.05 58.49 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.728 0.775 . . . . 0.0 110.208 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 94.04 -14.58 65.0 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 26' ' ' ILE . 33.9 mm -101.76 116.99 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.06 -1.259 . . . . 0.0 108.27 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 178.74 36.84 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.26 -39.87 80.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -1.012 . . . . 0.0 110.433 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.92 -47.39 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 120.834 -1.166 . . . . 0.0 109.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.94 -37.13 85.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.204 -0.935 . . . . 0.0 109.791 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.02 96.43 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.61 -39.83 95.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.29 -1.124 . . . . 0.0 110.589 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.29 -44.17 79.91 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.753 -1.217 . . . . 0.0 109.979 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.65 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.931 -1.105 . . . . 0.0 108.741 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -44.35 94.54 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.977 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.82 -19.37 65.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.227 -0.92 . . . . 0.0 108.813 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.92 -0.01 57.0 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.323 -0.861 . . . . 0.0 110.315 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.12 3.97 35.79 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.151 -0.968 . . . . 0.0 111.807 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -105.47 75.43 1.15 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.934 -1.333 . . . . 0.0 109.489 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -82.02 -13.15 57.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.06 151.39 50.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.393 -0.817 . . . . 0.0 109.469 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.74 94.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.617 -0.677 . . . . 0.0 111.275 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -60.0 -20.06 55.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.638 -1.289 . . . . 0.0 111.325 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.93 -32.54 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.476 -1.39 . . . . 0.0 107.313 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.41 -35.75 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -44.4 91.53 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.49 -43.81 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.903 -1.351 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.58 -39.38 81.0 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.0 -25.53 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.376 -0.828 . . . . 0.0 110.62 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.68 14.67 11.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.921 -1.112 . . . . 0.0 110.825 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.4 36.54 13.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.8 -1.188 . . . . 0.0 110.637 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 60.05 20.51 9.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.469 -0.769 . . . . 0.0 110.706 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -68.19 113.64 6.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.388 -1.445 . . . . 0.0 108.346 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.33 -40.66 93.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.545 -0.722 . . . . 0.0 112.906 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -39.33 75.9 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.701 -1.249 . . . . 0.0 109.899 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.81 -39.09 76.73 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.066 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.28 -46.92 84.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.055 -1.028 . . . . 0.0 109.772 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -60.01 -46.06 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.407 -0.808 . . . . 0.0 111.18 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.86 -38.13 89.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.76 -1.212 . . . . 0.0 108.641 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.4 t90 -61.46 -49.38 77.05 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.99 -48.69 65.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.996 -1.065 . . . . 0.0 110.141 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.47 -47.44 85.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.965 . . . . 0.0 109.588 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.39 -30.28 69.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.712 -0.617 . . . . 0.0 109.766 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.5 m -79.44 -33.61 42.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -0.929 . . . . 0.0 111.159 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.98 -29.72 1.43 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.556 -1.34 . . . . 0.0 112.382 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.02 15.54 16.02 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.84 154.16 2.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.123 -1.222 . . . . 0.0 109.271 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -90.88 171.8 9.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.024 -1.047 . . . . 0.0 110.024 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.77 72.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.614 -0.679 . . . . 0.0 110.939 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 9.3 mtpm? -72.08 -40.2 68.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 0.0 110.439 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.5 mm100 -68.59 -36.69 79.04 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 110.625 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.578 ' HG ' ' N ' ' A' ' 75' ' ' ARG . 53.7 p -68.31 -38.07 81.22 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 110.034 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.578 ' N ' ' HG ' ' A' ' 74' ' ' SER . 99.0 mtt180 -60.83 -37.57 82.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.868 -1.145 . . . . 0.0 110.046 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -67.93 -39.88 83.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.586 -1.321 . . . . 0.0 110.762 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.39 -39.95 77.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.893 -1.129 . . . . 0.0 110.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.34 -59.93 4.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.701 -1.249 . . . . 0.0 110.142 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.38 -32.46 77.33 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -68.6 -49.17 61.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -1.179 . . . . 0.0 109.823 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.04 -40.0 75.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.546 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -60.69 -40.16 91.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.105 -0.997 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.12 -37.72 75.4 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.196 -0.94 . . . . 0.0 110.942 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 90.8 t90 -62.33 -43.73 98.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.341 -1.474 . . . . 0.0 109.104 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.23 -40.08 88.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 109.844 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.96 -30.47 67.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.37 -33.58 13.81 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.166 -0.959 . . . . 0.0 111.086 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.7 m-85 . . . . . 0 N--CA 1.503 2.214 0 O-C-N 121.293 -0.88 . . . . 0.0 111.875 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . 0.435 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.7 t60 -59.48 -49.15 78.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.091 -1.006 . . . . 0.0 110.511 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 mmm-85 -70.04 -31.71 69.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.977 -1.077 . . . . 0.0 109.802 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.79 -39.24 70.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.347 -0.846 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.07 -39.98 86.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.414 -0.804 . . . . 0.0 110.256 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.78 17.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.951 . . . . 0.0 110.277 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -4.89 9.68 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.792 . . . . 0.0 110.734 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.13 150.51 24.1 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 120.75 -1.219 . . . . 0.0 109.295 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.26 159.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.67 1.58 . . . . 0.0 111.517 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.54 -21.42 21.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.886 -1.133 . . . . 0.0 109.113 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 -137.4 24.79 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.1 33.54 4.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.573 -0.957 . . . . 0.0 110.28 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -60.07 150.01 72.18 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.039 -1.038 . . . . 0.0 109.083 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.07 152.47 80.86 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.259 1.972 . . . . 0.0 112.073 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.93 -40.46 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.554 -0.716 . . . . 0.0 110.416 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 -3.93 11.51 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.8 t -82.87 -22.77 33.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.784 -1.421 . . . . 0.0 109.147 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.12 139.06 58.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.928 . . . . 0.0 109.375 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 138.96 58.49 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.79 0.805 . . . . 0.0 110.305 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 94.14 -14.41 65.37 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.1 mm -101.85 117.13 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.153 -1.204 . . . . 0.0 108.218 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.72 178.57 36.55 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.15 -40.02 80.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -1.009 . . . . 0.0 110.367 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.7 -47.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.908 -1.12 . . . . 0.0 109.832 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.76 -37.23 85.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.712 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.99 96.38 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.51 -40.08 96.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.245 -1.15 . . . . 0.0 110.501 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.609 -1.307 . . . . 0.0 110.029 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.67 -39.76 95.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.022 -1.049 . . . . 0.0 108.835 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -44.39 94.61 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.953 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -65.81 -19.37 65.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 108.776 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.9 0.14 56.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.418 -0.801 . . . . 0.0 110.31 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 4.15 36.28 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 121.038 -1.039 . . . . 0.0 111.823 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.78 75.64 1.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.829 -1.394 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -82.33 -12.98 57.63 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.781 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.03 151.55 50.45 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.333 -0.854 . . . . 0.0 109.487 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.51 93.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.639 -0.663 . . . . 0.0 111.302 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -60.0 -20.63 58.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.662 -1.274 . . . . 0.0 111.319 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -78.57 -32.47 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.441 -1.412 . . . . 0.0 107.228 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.5 -35.71 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.91 -39.61 86.0 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.14 -44.92 88.63 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.16 -43.76 95.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.962 -1.317 . . . . 0.0 109.245 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -39.86 81.17 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.61 -25.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.385 -0.822 . . . . 0.0 110.648 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.0 15.16 10.53 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.919 -1.113 . . . . 0.0 110.718 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.03 36.59 12.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.807 -1.183 . . . . 0.0 110.672 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.01 20.07 9.18 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.508 -0.745 . . . . 0.0 110.682 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.76 113.8 5.83 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.375 -1.453 . . . . 0.0 108.252 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.41 -41.09 93.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.584 -0.697 . . . . 0.0 112.823 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.67 -39.26 77.11 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.576 -1.327 . . . . 0.0 109.889 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.87 -38.85 76.54 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.086 -1.045 . . . . 0.0 109.156 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.56 -46.85 84.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.084 -1.01 . . . . 0.0 109.813 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -59.95 -46.7 88.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.0 111.053 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.37 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.75 -1.219 . . . . 0.0 108.771 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.461 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.4 t90 -61.66 -49.13 77.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.373 -0.829 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.14 -49.06 63.47 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.045 -1.034 . . . . 0.0 110.078 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.15 -47.43 86.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 0.0 109.593 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.31 -30.46 69.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -79.29 -33.63 43.13 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.16 -0.963 . . . . 0.0 111.224 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.88 -30.14 1.41 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.685 -1.259 . . . . 0.0 112.272 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.32 15.88 14.69 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.19 154.29 2.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -1.202 . . . . 0.0 109.256 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -90.93 171.62 9.17 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.4 71.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.593 -0.692 . . . . 0.0 110.88 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -72.26 -40.23 67.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.527 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.6 mm100 -68.71 -36.4 78.4 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.309 -0.869 . . . . 0.0 110.629 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' SER . . . . . 0.571 ' HG ' ' N ' ' B' ' 75' ' ' ARG . 53.8 p -68.58 -37.75 80.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.172 -0.955 . . . . 0.0 110.013 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.571 ' N ' ' HG ' ' B' ' 74' ' ' SER . 99.0 mtt180 -61.1 -37.29 82.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.869 -1.144 . . . . 0.0 110.095 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.17 -39.94 82.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.444 -1.41 . . . . 0.0 110.571 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.31 -40.13 77.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.781 -1.199 . . . . 0.0 110.489 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.2 -59.88 4.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.34 77.9 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.58 -49.2 61.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -1.191 . . . . 0.0 109.817 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.99 -39.96 75.6 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.612 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.84 -40.04 91.36 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.18 -0.95 . . . . 0.0 110.214 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.435 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.9 mt-10 -70.29 -37.73 74.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 110.877 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 90.7 t90 -62.33 -43.73 98.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.411 -1.431 . . . . 0.0 109.103 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 89' ' ' LEU . 64.5 m -60.36 -39.91 88.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.822 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.07 -30.12 67.83 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.68 -33.77 13.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.151 -0.968 . . . . 0.0 110.973 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.7 m-85 -109.64 0.02 18.85 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.254 -0.903 . . . . 0.0 111.846 -177.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.497 1.912 0 O-C-N 120.9 -1.125 . . . . 0.0 109.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 120.957 0.408 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -60.02 -50.33 74.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.909 -1.119 . . . . 0.0 110.504 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 8' ' ' ARG . 32.8 mtt-85 -70.1 -34.7 73.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.92 -39.9 72.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.456 -0.777 . . . . 0.0 110.332 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 -40.0 83.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.379 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.77 15.96 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.03 -1.044 . . . . 0.0 109.989 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.98 -8.38 10.24 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.432 -0.793 . . . . 0.0 111.248 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.25 28.21 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.597 -1.315 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.71 161.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.044 1.829 . . . . 0.0 112.039 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.93 -22.16 21.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.189 -0.944 . . . . 0.0 109.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.6 -142.03 12.31 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.39 29.47 5.18 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -1.05 . . . . 0.0 110.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -62.08 149.6 85.96 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 120.873 -1.142 . . . . 0.0 108.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.42 159.96 51.66 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.489 2.126 . . . . 0.0 112.898 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.3 p -55.4 -48.27 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.38 0.609 . . . . 0.0 111.154 -179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.12 -3.84 0.15 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.525 ' H ' ' C ' ' A' ' 20' ' ' VAL . 19.3 m -83.28 -22.64 32.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.833 -1.392 . . . . 0.0 109.373 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.59 139.33 58.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 109.29 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -64.28 134.88 55.58 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.639 0.733 . . . . 0.0 110.189 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.23 -18.27 56.79 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -95.93 116.47 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.032 -1.275 . . . . 0.0 108.234 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.46 170.64 39.03 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 45.9 mp0 -57.04 -40.04 76.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.271 -1.135 . . . . 0.0 110.377 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.17 -41.35 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.836 -1.165 . . . . 0.0 109.618 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.72 -37.25 81.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.745 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.75 94.68 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.54 -39.22 92.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -1.069 . . . . 0.0 110.36 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.86 -44.56 76.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.742 -1.224 . . . . 0.0 109.943 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.0 -38.58 91.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.746 -1.221 . . . . 0.0 108.571 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.891 -0.723 . . . . 0.0 109.255 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.94 -18.82 64.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 108.716 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.51 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 7.1 51.11 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 121.063 -1.023 . . . . 0.0 112.157 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -106.57 75.52 1.07 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 119.149 1.474 . . . . 0.0 108.941 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -80.51 -9.03 59.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.524 -0.735 . . . . 0.0 111.112 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -137.63 159.87 40.77 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.997 -1.065 . . . . 0.0 109.983 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.01 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.671 . . . . 0.0 112.763 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -60.18 -19.13 52.66 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.402 -1.436 . . . . 0.0 111.244 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.77 -33.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.08 -40.03 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.08 -38.81 83.97 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.07 79.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -59.97 -41.95 93.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.048 -1.266 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.383 -0.823 . . . . 0.0 108.839 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.34 -37.87 86.35 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.42 -26.67 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -0.904 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -90.05 13.55 14.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.025 -1.047 . . . . 0.0 110.838 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 47.67 39.89 10.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.695 -1.253 . . . . 0.0 110.717 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 59.86 19.99 8.9 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.454 -0.779 . . . . 0.0 110.134 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.6 113.31 5.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.618 -1.301 . . . . 0.0 108.301 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.47 -42.4 98.6 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.08 -39.0 75.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.469 -1.395 . . . . 0.0 110.846 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.02 -39.92 78.97 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.016 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.35 -44.47 91.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.0 -48.3 82.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 0.0 111.185 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -65.11 -37.96 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.685 -1.259 . . . . 0.0 109.494 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.452 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.28 -49.81 75.53 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.005 -1.06 . . . . 0.0 110.978 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 59.0 tp -67.7 -48.04 67.67 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.138 -0.976 . . . . 0.0 110.297 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' GLY . 60.5 tttm -62.67 -47.5 83.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.945 . . . . 0.0 109.349 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.11 -31.71 71.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.742 -0.599 . . . . 0.0 109.621 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 64.3 m -79.31 -33.84 42.85 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 110.958 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 31.5 p -131.39 -28.3 1.89 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.641 -1.287 . . . . 0.0 112.17 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 106.77 15.19 17.43 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.48 152.61 1.84 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.273 . . . . 0.0 109.863 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -91.63 172.45 8.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.861 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.28 77.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 110.768 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 88.4 tttt -70.48 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.964 -1.085 . . . . 0.0 110.091 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.75 -37.45 82.15 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.368 -0.833 . . . . 0.0 110.658 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 p -67.58 -38.33 83.9 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.134 -0.979 . . . . 0.0 110.093 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.3 mtm180 -60.97 -38.44 85.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.831 -1.168 . . . . 0.0 110.209 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.0 -39.99 83.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.542 -1.349 . . . . 0.0 110.668 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 69.4 m -68.42 -40.09 81.35 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.828 -1.17 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.51 -60.03 4.45 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.452 -1.405 . . . . 0.0 109.847 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.09 85.2 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.287 -0.958 . . . . 0.0 110.964 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.83 -48.26 59.63 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.924 -1.339 . . . . 0.0 110.098 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.62 -39.58 77.08 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.823 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.36 -40.1 89.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.98 -39.46 75.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.148 -0.97 . . . . 0.0 111.226 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -61.98 -41.6 98.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.451 -1.406 . . . . 0.0 109.066 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.1 m -61.46 -39.97 92.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.054 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.04 -29.03 68.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.19 -35.98 14.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.073 -1.017 . . . . 0.0 111.085 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 . . . . . 0 N--CA 1.503 2.175 0 O-C-N 121.382 -0.824 . . . . 0.0 111.817 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.88 0.371 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.915 -1.115 . . . . 0.0 110.484 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.424 ' HG2' HH11 ' B' ' 8' ' ' ARG . 33.0 mtt-85 -70.02 -34.41 73.25 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.126 -0.984 . . . . 0.0 109.978 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.97 -39.97 72.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.88 -39.98 83.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.909 . . . . 0.0 110.37 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.83 15.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.077 -1.014 . . . . 0.0 110.004 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.01 -8.28 10.25 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.33 -0.856 . . . . 0.0 111.21 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.33 28.36 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.555 -1.341 . . . . 0.0 110.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.76 161.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.994 1.796 . . . . 0.0 112.079 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ptp -90.83 -22.05 21.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.224 -0.922 . . . . 0.0 109.635 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.35 -141.9 11.44 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.31 29.45 5.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.399 -1.059 . . . . 0.0 110.747 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -62.1 149.4 86.61 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 108.885 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.33 159.98 51.6 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.471 2.114 . . . . 0.0 112.862 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.53 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.0 p -55.38 -48.3 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.682 -0.636 . . . . 0.0 111.07 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.11 -3.85 0.15 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.53 ' H ' ' C ' ' B' ' 20' ' ' VAL . 19.3 m -83.23 -22.81 33.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.825 -1.397 . . . . 0.0 109.342 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.51 139.27 58.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.94 . . . . 0.0 109.352 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.457 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -64.27 134.77 55.36 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.701 0.763 . . . . 0.0 110.21 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 -17.98 57.08 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.24 116.44 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.049 -1.265 . . . . 0.0 108.225 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.44 170.51 38.9 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 45.8 mp0 -57.1 -39.9 75.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -1.094 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.3 -41.43 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.854 -1.154 . . . . 0.0 109.677 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.43 -37.43 83.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.813 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.55 94.45 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.64 -39.09 92.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.409 -1.053 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.82 -44.72 76.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.696 -1.252 . . . . 0.0 109.948 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.95 -38.73 92.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.91 -1.119 . . . . 0.0 108.536 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -40.0 86.94 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.317 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.99 -18.82 64.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.52 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.536 -0.728 . . . . 0.0 109.78 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.99 6.99 51.27 Favored Glycine 0 N--CA 1.502 3.054 0 O-C-N 121.016 -1.052 . . . . 0.0 112.158 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.6 75.56 1.07 Allowed 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 119.219 1.509 . . . . 0.0 108.898 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -80.41 -8.98 59.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.603 -0.685 . . . . 0.0 111.083 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -137.56 159.85 40.81 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.038 -1.039 . . . . 0.0 110.026 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.0 91.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.654 -0.654 . . . . 0.0 112.647 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.09 -19.31 52.65 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.251 -1.531 . . . . 0.0 111.185 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.62 -33.28 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.434 -1.416 . . . . 0.0 107.279 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.96 -40.0 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.04 -38.75 83.65 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.82 81.52 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.138 -1.213 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.87 -40.1 87.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.378 -0.826 . . . . 0.0 108.951 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.31 -37.75 86.12 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.5 -26.72 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.196 -0.94 . . . . 0.0 110.228 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.07 13.78 14.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.08 -1.012 . . . . 0.0 110.784 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 47.48 39.96 10.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.701 -1.249 . . . . 0.0 110.606 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 59.88 19.93 8.88 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.416 -0.802 . . . . 0.0 110.204 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.69 113.73 6.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.464 -1.398 . . . . 0.0 108.24 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.77 -42.51 97.76 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.99 -38.91 76.14 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.532 -1.355 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.0 -39.96 79.0 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.961 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.44 -44.37 91.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.971 -1.081 . . . . 0.0 109.745 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 111.056 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.7 OUTLIER -65.0 -37.95 89.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.668 -1.27 . . . . 0.0 109.562 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' TRP . . . . . 0.473 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.15 -49.85 75.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.03 -1.044 . . . . 0.0 110.954 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.467 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 59.0 tp -67.78 -48.08 67.36 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.316 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' GLY . 60.6 tttm -62.6 -47.53 83.39 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.03 -31.97 72.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.724 -0.61 . . . . 0.0 109.572 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 65.0 m -78.96 -33.76 44.95 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.331 -0.855 . . . . 0.0 111.009 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 31.4 p -131.56 -28.48 1.84 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.631 -1.293 . . . . 0.0 112.177 -178.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 106.92 15.3 16.84 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.36 152.8 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.091 -1.24 . . . . 0.0 109.842 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.78 172.75 8.26 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.197 -0.939 . . . . 0.0 109.953 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.24 77.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.79 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.403 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 88.5 tttt -70.63 -41.37 72.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.952 -1.093 . . . . 0.0 110.1 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.68 -37.49 82.42 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.359 -0.838 . . . . 0.0 110.609 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 10.1 p -67.53 -38.29 83.99 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.126 -0.984 . . . . 0.0 110.124 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.3 mtm180 -61.11 -38.34 85.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.851 -1.155 . . . . 0.0 110.209 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.02 83.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.674 -1.266 . . . . 0.0 110.73 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 68.8 m -68.54 -40.02 80.87 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -58.48 -59.93 4.59 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.588 -1.32 . . . . 0.0 109.897 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.12 85.46 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.82 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.69 -48.39 59.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.89 -1.359 . . . . 0.0 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.71 -39.38 76.91 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.773 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.51 -40.11 90.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.98 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 111.217 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TRP . . . . . 0.608 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.7 t90 -62.09 -41.47 98.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.481 -1.387 . . . . 0.0 109.099 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' B' ' 89' ' ' LEU . 67.1 m -61.52 -39.92 92.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.108 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.97 -29.22 68.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.22 -35.92 14.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.037 -1.04 . . . . 0.0 111.076 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.608 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.1 m-85 -112.11 0.76 16.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.286 -0.884 . . . . 0.0 111.843 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 85' ' ' CYS . 47.7 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 120.612 -1.305 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.365 0.602 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -92.29 5.2 51.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.402 -0.811 . . . . 0.0 109.455 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -70.04 159.88 33.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.108 -0.995 . . . . 0.0 109.919 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.0 m -69.57 154.33 42.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.49 -22.0 29.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.745 -0.597 . . . . 0.0 109.822 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.88 -37.04 83.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.525 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 63.7 t60 -57.57 -48.89 78.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 110.024 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -70.07 -33.58 72.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.235 -0.915 . . . . 0.0 110.38 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.93 -38.71 69.79 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -67.44 -40.05 85.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.161 -0.962 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.7 m -84.6 15.48 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 0.0 109.938 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.16 -7.14 10.36 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.423 -0.798 . . . . 0.0 110.711 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -154.08 152.81 27.41 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 120.807 -1.183 . . . . 0.0 109.521 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.99 157.83 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.916 1.744 . . . . 0.0 111.614 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -91.49 -20.14 22.06 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.103 -0.998 . . . . 0.0 109.569 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.48 -138.12 18.76 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.29 30.04 6.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.464 -1.021 . . . . 0.0 110.862 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.59 150.29 75.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.79 -1.194 . . . . 0.0 108.658 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -63.73 152.93 78.27 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.286 1.991 . . . . 0.0 112.773 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.5 p -52.95 -46.65 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.5 0.667 . . . . 0.0 110.39 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.89 -1.73 0.27 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.6 t -82.62 -23.61 34.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.319 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.29 139.85 58.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.401 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -63.77 136.24 57.28 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.616 0.722 . . . . 0.0 109.935 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 -20.2 49.37 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.21 120.26 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.062 -1.258 . . . . 0.0 108.251 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.48 175.22 40.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.85 -40.03 79.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.424 -1.045 . . . . 0.0 110.459 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.11 -45.37 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.058 -1.026 . . . . 0.0 109.717 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.46 -36.11 82.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.442 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.36 95.65 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.3 -39.95 94.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.305 -1.115 . . . . 0.0 111.231 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.85 -44.61 84.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.642 -1.286 . . . . 0.0 109.609 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.93 -39.54 92.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.94 . . . . 0.0 109.452 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -39.99 87.48 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.291 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.73 -19.73 65.17 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.276 -0.89 . . . . 0.0 108.93 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 37' ' ' ARG . 48.1 mtt-85 -90.32 2.25 55.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.571 -0.706 . . . . 0.0 110.901 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.04 4.47 44.77 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.965 -1.084 . . . . 0.0 111.791 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.05 73.51 1.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.927 -1.337 . . . . 0.0 108.207 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.57 -12.56 58.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.56 -0.713 . . . . 0.0 110.167 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.3 150.96 50.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.433 -0.792 . . . . 0.0 109.17 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.02 94.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 111.422 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -58.46 -19.34 36.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.691 -1.256 . . . . 0.0 111.563 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.04 -31.74 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.416 -1.427 . . . . 0.0 107.529 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -77.4 -34.14 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.03 -39.1 84.73 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.58 -40.97 97.05 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -40.32 88.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.369 . . . . 0.0 108.974 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.89 -39.51 83.62 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.64 -29.18 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.302 -0.874 . . . . 0.0 110.549 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.96 15.78 9.4 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.41 35.05 5.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.767 -1.208 . . . . 0.0 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 60.99 20.0 10.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.745 -0.597 . . . . 0.0 111.568 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -67.34 118.34 10.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.273 -1.517 . . . . 0.0 108.128 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.28 -40.65 96.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.423 -0.798 . . . . 0.0 112.902 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.541 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 92.0 m-20 -69.91 -40.2 75.74 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.655 -1.278 . . . . 0.0 110.4 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.57 -39.99 73.59 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.78 -49.31 71.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.44 -0.787 . . . . 0.0 110.352 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.541 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.7 mtm180 -61.19 -43.88 98.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.0 -1.063 . . . . 0.0 110.9 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.03 -34.02 77.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.63 -1.294 . . . . 0.0 108.956 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.465 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.67 -48.19 81.95 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 110.501 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 63.9 tp -68.53 -50.33 52.8 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.55 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.25 -48.39 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.16 -0.963 . . . . 0.0 110.066 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -69.41 -26.83 64.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.587 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.3 m -80.16 -33.23 38.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 111.242 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 25.3 p -133.01 -25.22 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.556 -1.34 . . . . 0.0 112.411 -177.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.85 14.21 23.64 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.48 152.73 2.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 109.476 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.7 169.07 12.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.019 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.7 70.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.492 -0.755 . . . . 0.0 110.556 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -40.03 67.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.975 -1.078 . . . . 0.0 109.295 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.64 -37.07 84.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.559 -0.713 . . . . 0.0 110.505 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.162 -0.961 . . . . 0.0 109.786 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -61.14 -37.88 84.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.012 -1.055 . . . . 0.0 110.278 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.57 -39.99 80.76 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.495 -1.378 . . . . 0.0 110.738 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.8 m -68.95 -40.04 79.19 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.856 -1.153 . . . . 0.0 110.008 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.36 -59.36 5.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.605 -1.309 . . . . 0.0 110.076 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.93 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.66 -48.14 67.52 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.057 -1.261 . . . . 0.0 109.13 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.04 -40.01 75.38 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.495 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -63.56 -40.71 97.68 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.036 -1.04 . . . . 0.0 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.525 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.5 mt-10 -69.85 -38.74 76.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.05 -1.031 . . . . 0.0 110.141 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.4 t90 -60.7 -44.6 96.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.668 -1.27 . . . . 0.0 108.655 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.75 -40.04 90.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.286 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.23 -32.57 70.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.79 17.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.198 -0.938 . . . . 0.0 110.486 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.0 m-85 -106.43 -86.19 0.49 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.72 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.312 0.577 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -92.15 5.09 51.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.4 p -69.94 159.98 32.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 110.045 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.4 m -69.58 154.28 42.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -0.807 . . . . 0.0 109.21 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.45 -22.02 29.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.688 -0.632 . . . . 0.0 109.758 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.77 -37.14 83.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.035 -1.041 . . . . 0.0 109.728 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.511 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 63.5 t60 -57.55 -48.94 77.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.979 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -70.03 -33.56 72.13 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.97 -38.43 69.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.78 -40.0 84.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 110.219 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.34 15.1 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.952 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.92 -7.09 10.48 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.435 -0.79 . . . . 0.0 110.747 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -154.13 152.81 27.33 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.736 -1.227 . . . . 0.0 109.479 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -42.1 157.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.839 1.693 . . . . 0.0 111.611 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.3 ptp -91.52 -20.36 21.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.104 -0.998 . . . . 0.0 109.603 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.03 -137.99 22.03 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.55 29.9 6.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.54 -0.976 . . . . 0.0 110.823 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.44 150.1 74.85 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 120.848 -1.157 . . . . 0.0 108.629 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -63.57 152.96 77.79 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.296 1.997 . . . . 0.0 112.873 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.6 p -52.99 -46.62 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-O 121.528 0.68 . . . . 0.0 110.396 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.89 -2.04 0.31 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.536 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.3 t -82.27 -23.65 35.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.946 -1.326 . . . . 0.0 109.128 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.34 139.87 58.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.407 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.417 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -63.67 136.52 57.55 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.652 0.739 . . . . 0.0 109.887 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.17 -20.25 49.58 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -99.14 120.15 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.083 -1.245 . . . . 0.0 108.33 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.39 175.35 40.87 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.92 -39.99 79.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.521 -0.988 . . . . 0.0 110.423 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.25 -45.19 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.96 -1.088 . . . . 0.0 109.756 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 68.3 mt -65.61 -36.04 82.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.376 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.57 95.89 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.286 -1.126 . . . . 0.0 111.138 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.88 -44.57 84.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.612 -1.305 . . . . 0.0 109.658 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.04 -39.5 92.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 109.395 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.98 -40.0 87.65 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.176 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.59 -19.73 65.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.982 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' B' ' 37' ' ' ARG . 48.1 mtt-85 -90.34 1.89 56.1 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.383 -0.823 . . . . 0.0 110.83 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.4 4.41 43.66 Favored Glycine 0 N--CA 1.504 3.174 0 O-C-N 121.079 -1.013 . . . . 0.0 111.806 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.82 73.28 1.16 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.859 -1.377 . . . . 0.0 108.242 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -81.3 -12.81 58.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.524 -0.735 . . . . 0.0 110.045 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.11 150.84 50.34 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.469 -0.769 . . . . 0.0 109.252 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.01 94.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 111.449 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -58.4 -19.05 32.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.727 -1.233 . . . . 0.0 111.543 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.6 t -78.25 -31.8 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.423 -1.423 . . . . 0.0 107.552 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.38 -34.13 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.97 -38.84 83.67 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.68 97.24 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.04 -40.39 89.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.949 -1.324 . . . . 0.0 108.935 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -39.19 83.03 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.83 -29.47 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.362 -0.836 . . . . 0.0 110.472 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.63 15.44 9.52 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.028 . . . . 0.0 110.412 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.79 34.99 5.76 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.789 -1.194 . . . . 0.0 110.04 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 60.89 20.39 10.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.684 -0.635 . . . . 0.0 111.617 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -67.71 118.23 10.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.333 -1.479 . . . . 0.0 108.079 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -64.35 -40.29 95.57 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.39 -0.819 . . . . 0.0 112.925 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.553 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 91.9 m-20 -70.02 -40.29 75.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.627 -1.296 . . . . 0.0 110.46 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.59 -40.01 73.5 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.6 -49.44 71.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.553 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -61.26 -43.41 98.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.049 -1.032 . . . . 0.0 111.043 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.3 -34.18 77.73 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.581 -1.325 . . . . 0.0 108.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.3 t90 -61.4 -48.48 81.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 110.529 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 63.9 tp -68.34 -50.29 54.29 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 110.538 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -60.18 -48.62 80.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 110.123 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.28 -26.82 64.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 109.607 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 25.5 m -80.12 -33.44 38.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 111.168 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 25.3 p -132.96 -24.88 1.87 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.65 -1.281 . . . . 0.0 112.535 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.63 13.95 24.72 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 152.64 2.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.167 -1.196 . . . . 0.0 109.416 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -87.67 168.88 12.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.939 -1.101 . . . . 0.0 109.963 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -31.85 70.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.528 -0.733 . . . . 0.0 110.568 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -39.96 67.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.47 -37.36 84.96 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.508 -0.745 . . . . 0.0 110.486 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.13 -38.58 88.5 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.17 -0.956 . . . . 0.0 109.784 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -60.82 -38.09 84.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.986 -1.071 . . . . 0.0 110.244 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.39 -40.01 81.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.557 -1.339 . . . . 0.0 110.687 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 93.9 m -69.01 -39.98 78.97 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.837 -1.164 . . . . 0.0 110.088 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.33 -59.56 5.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.67 -1.269 . . . . 0.0 110.069 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.19 78.2 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.65 -48.14 67.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.948 -1.325 . . . . 0.0 109.171 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.08 -40.09 75.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 109.467 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -63.45 -40.75 97.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.963 -1.086 . . . . 0.0 110.341 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.511 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.4 mt-10 -69.74 -38.86 77.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.987 -1.07 . . . . 0.0 110.182 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.594 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -60.5 -44.86 95.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.676 -1.265 . . . . 0.0 108.65 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.58 -40.07 90.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.58 -0.7 . . . . 0.0 109.314 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.18 -32.72 70.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.427 -0.796 . . . . 0.0 109.596 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.38 -35.65 18.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.181 -0.95 . . . . 0.0 110.499 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.594 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.8 m-85 -106.54 -86.09 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.304 -0.873 . . . . 0.0 110.226 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 120.955 -1.09 . . . . 0.0 108.722 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.7 m -80.59 134.89 35.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -75.59 160.14 30.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -0.815 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.5 p -70.01 160.06 32.65 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 27.6 mp0 -60.65 -24.54 65.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.701 -0.625 . . . . 0.0 110.547 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.61 -37.72 84.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.837 -1.164 . . . . 0.0 110.102 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.68 -50.43 73.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.999 -1.063 . . . . 0.0 110.464 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -32.81 71.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.044 -1.035 . . . . 0.0 110.104 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.23 -36.99 69.26 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.449 -0.782 . . . . 0.0 110.098 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.89 -40.87 78.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.589 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.38 16.51 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.081 -1.012 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.36 -4.67 9.39 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.08 150.69 28.01 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 120.885 -1.134 . . . . 0.0 109.807 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.53 164.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.185 1.924 . . . . 0.0 111.984 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.44 -19.16 23.15 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.033 -1.042 . . . . 0.0 109.773 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.49 -141.58 5.8 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.01 26.1 10.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.496 -1.002 . . . . 0.0 110.069 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 150.15 80.93 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 120.92 -1.113 . . . . 0.0 108.18 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -62.32 153.28 71.41 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.59 2.193 . . . . 0.0 113.027 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 22' ' ' SER . 8.1 p -53.97 -46.16 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-O 121.517 0.675 . . . . 0.0 110.244 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.97 -2.49 0.37 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 20' ' ' VAL . 78.8 p -81.14 -24.45 37.62 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.914 -1.344 . . . . 0.0 109.093 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.38 138.38 58.43 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.791 0.805 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 134.91 54.6 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.424 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.544 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.9 -17.5 56.22 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 26' ' ' ILE . 38.2 mm -100.1 118.9 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 174.07 35.24 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.21 -39.98 84.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -1.013 . . . . 0.0 110.314 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.1 t -69.25 -44.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.821 -1.175 . . . . 0.0 109.198 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.23 -39.88 86.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.1 96.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.24 -39.26 92.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.245 -1.15 . . . . 0.0 110.968 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.01 -41.58 90.82 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.603 -1.31 . . . . 0.0 110.298 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.98 -40.02 91.83 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.068 -1.02 . . . . 0.0 109.483 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.8 -40.1 91.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.846 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.53 -20.02 63.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -88.68 -0.06 56.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 109.872 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.96 38.67 3.54 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.76 72.08 1.48 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -79.48 -15.04 58.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.427 -0.796 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 67.5 mmtt -131.74 152.26 51.05 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.047 -1.033 . . . . 0.0 110.03 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.581 -0.699 . . . . 0.0 111.748 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 26.9 p90 -58.75 -18.59 32.95 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.731 -1.23 . . . . 0.0 111.357 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.61 -31.32 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.59 -1.318 . . . . 0.0 107.932 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.26 -34.71 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.46 98.2 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.31 -43.51 96.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.059 -1.259 . . . . 0.0 109.022 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.4 -37.66 80.55 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.83 -29.41 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.45 14.28 10.06 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.155 -0.966 . . . . 0.0 110.516 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 48.16 36.61 6.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.644 -1.285 . . . . 0.0 109.989 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 mttm 60.25 20.48 9.91 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.628 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.65 112.59 4.85 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.613 -1.305 . . . . 0.0 108.394 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -41.9 97.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.415 -0.803 . . . . 0.0 113.15 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.7 m-20 -68.88 -39.92 79.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.528 -1.357 . . . . 0.0 110.473 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.12 -38.73 75.65 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.063 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.52 -48.95 75.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.368 -0.832 . . . . 0.0 109.847 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 78.7 mtm180 -59.96 -47.01 87.57 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.177 -0.952 . . . . 0.0 111.093 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.78 -38.06 89.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.867 -1.145 . . . . 0.0 108.748 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.6 t90 -63.16 -48.63 77.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.14 -47.61 64.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.962 -1.086 . . . . 0.0 111.147 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -62.03 -47.45 84.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.934 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.0 t0 -68.34 -28.21 66.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.574 -0.704 . . . . 0.0 109.629 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 43.4 m -79.31 -34.55 42.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.221 -0.924 . . . . 0.0 111.296 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -132.42 -31.34 1.41 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.482 -1.386 . . . . 0.0 112.221 -177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.3 15.64 11.27 Favored Glycine 0 N--CA 1.502 3.077 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.05 152.87 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.12 -1.223 . . . . 0.0 109.749 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.57 172.12 8.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.11 -0.994 . . . . 0.0 110.151 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.49 75.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.533 -0.729 . . . . 0.0 111.464 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -71.98 -39.99 68.89 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.592 -1.317 . . . . 0.0 110.041 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.7 mm100 -66.55 -38.2 86.6 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.518 -0.739 . . . . 0.0 110.293 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -66.8 -37.19 84.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.966 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -60.03 -39.3 85.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.88 -1.138 . . . . 0.0 109.58 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.16 -40.0 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.828 -1.17 . . . . 0.0 110.807 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -67.83 -39.94 83.82 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.958 -1.089 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.92 -60.9 3.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.842 -1.161 . . . . 0.0 110.325 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.93 83.93 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.1 t -68.81 -49.07 61.57 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.136 -1.214 . . . . 0.0 109.712 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.95 -40.07 75.66 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.227 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.31 -40.02 92.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -0.978 . . . . 0.0 109.511 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.87 -39.43 76.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -0.965 . . . . 0.0 110.867 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.4 t90 -60.9 -43.05 99.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.558 -1.339 . . . . 0.0 108.631 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.482 -0.761 . . . . 0.0 109.549 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.25 -32.21 69.79 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.435 -0.791 . . . . 0.0 110.265 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -34.43 19.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.137 -0.977 . . . . 0.0 110.386 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.6 m-85 -107.51 -87.27 0.49 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.316 -0.865 . . . . 0.0 110.896 -178.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.567 -179.402 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 42.6 m -80.55 134.84 35.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.1 p -75.51 160.11 30.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.896 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 81.5 p -70.02 159.94 32.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.43 -0.794 . . . . 0.0 109.249 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' B' ' 5' ' ' GLN . 27.5 mp0 -60.5 -24.56 65.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.63 -0.669 . . . . 0.0 110.656 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.61 -37.72 84.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.914 -1.117 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.59 -50.48 73.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.045 -1.034 . . . . 0.0 110.441 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.09 -32.71 70.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.968 . . . . 0.0 110.102 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -72.32 -37.13 69.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.71 -40.84 79.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.66 16.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.001 . . . . 0.0 109.923 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.6 -4.77 9.26 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.653 -0.654 . . . . 0.0 110.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.02 150.57 27.83 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.916 -1.115 . . . . 0.0 109.853 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -44.5 164.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.042 1.828 . . . . 0.0 112.038 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.41 -19.0 23.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -0.99 . . . . 0.0 109.815 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.36 -141.75 5.54 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -106.77 26.02 10.53 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.965 . . . . 0.0 110.111 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 150.18 80.76 Favored Pre-proline 0 C--N 1.303 -1.43 0 O-C-N 121.015 -1.053 . . . . 0.0 108.249 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -62.22 153.33 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.598 2.199 . . . . 0.0 113.045 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' B' ' 22' ' ' SER . 8.0 p -54.08 -46.09 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.456 0.645 . . . . 0.0 110.204 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -56.1 -2.28 0.37 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 20' ' ' VAL . 79.3 p -81.32 -24.47 37.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.033 -1.275 . . . . 0.0 109.069 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.34 138.21 58.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.703 0.763 . . . . 0.0 109.83 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 134.81 54.38 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.859 -0.737 . . . . 0.0 109.578 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.54 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.87 -17.22 56.66 Favored Glycine 0 N--CA 1.498 2.803 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -100.21 118.9 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 174.05 35.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.27 -39.95 84.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.428 -1.042 . . . . 0.0 110.222 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.17 -45.05 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -39.98 87.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -0.876 . . . . 0.0 109.089 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.99 96.43 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.12 -39.59 93.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.155 -1.203 . . . . 0.0 110.924 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.84 -41.55 91.59 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.231 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.022 -1.049 . . . . 0.0 109.467 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.84 -40.01 91.25 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.861 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.54 -20.16 63.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.194 -0.941 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -88.68 0.0 56.86 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.613 -0.679 . . . . 0.0 109.91 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.98 38.64 3.54 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.88 72.19 1.49 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -79.66 -15.09 58.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.476 -0.765 . . . . 0.0 110.537 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 67.2 mmtt -131.68 152.36 50.93 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.155 -0.965 . . . . 0.0 109.98 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.18 99.0 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.58 -0.7 . . . . 0.0 111.785 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.402 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 27.0 p90 -58.94 -18.72 36.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.726 -1.234 . . . . 0.0 111.28 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.55 -31.22 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.505 -1.372 . . . . 0.0 107.919 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.3 -34.69 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 tp -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.67 98.12 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.03 -43.69 95.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.104 -1.233 . . . . 0.0 108.9 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.37 -37.92 80.91 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.67 -29.31 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.347 -0.846 . . . . 0.0 110.197 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.62 14.59 9.67 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.036 -1.04 . . . . 0.0 110.477 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 47.92 36.77 6.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.626 -1.296 . . . . 0.0 110.046 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 60.16 20.36 9.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.58 -0.7 . . . . 0.0 110.651 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.54 112.72 4.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.679 -1.263 . . . . 0.0 108.353 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -42.1 97.59 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 113.057 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.7 m-20 -68.69 -39.96 80.3 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.643 -1.286 . . . . 0.0 110.432 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.16 -38.47 75.46 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.099 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.75 -48.87 75.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.0 109.811 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 78.8 mtm180 -59.97 -47.27 86.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.198 -0.939 . . . . 0.0 110.995 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.67 -37.97 88.52 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.93 -1.106 . . . . 0.0 108.709 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.451 ' O ' ' OG1' ' B' ' 66' ' ' THR . 64.5 t90 -63.25 -48.53 77.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 111.582 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -69.16 -47.85 63.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.947 -1.095 . . . . 0.0 111.011 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.86 -47.54 84.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.035 -1.041 . . . . 0.0 109.945 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.5 t0 -68.15 -28.25 67.14 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.617 -0.677 . . . . 0.0 109.703 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 43.1 m -79.29 -34.58 42.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 111.304 -178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.41 -31.4 1.41 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.598 -1.314 . . . . 0.0 112.236 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 15.9 11.05 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.24 152.87 3.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.089 -1.242 . . . . 0.0 109.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.53 172.1 8.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.176 -0.952 . . . . 0.0 110.127 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.3 75.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 111.407 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -72.04 -40.1 68.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.515 -1.366 . . . . 0.0 109.995 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.7 mm100 -66.65 -37.93 85.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 110.374 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -67.0 -37.04 83.49 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.924 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.099 . . . . 0.0 109.579 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.37 -39.97 85.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.811 -1.18 . . . . 0.0 110.801 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.81 -39.92 83.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.778 -1.201 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.92 -60.75 3.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.733 -1.229 . . . . 0.0 110.335 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -32.84 83.96 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.9 -48.98 62.01 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.306 . . . . 0.0 109.766 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.06 -39.86 75.4 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.29 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.38 -39.94 92.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.134 -0.979 . . . . 0.0 109.522 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.02 -39.42 75.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.169 -0.957 . . . . 0.0 110.817 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.3 t90 -60.98 -42.91 99.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.508 -1.37 . . . . 0.0 108.665 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.408 -0.808 . . . . 0.0 109.493 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.29 -32.11 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.491 -0.756 . . . . 0.0 110.252 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.76 -34.49 19.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.135 -0.978 . . . . 0.0 110.366 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.6 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.5 m-85 -107.42 -87.59 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.313 -0.867 . . . . 0.0 110.846 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.62 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -89.0 142.84 27.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.074 -1.016 . . . . 0.0 109.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.5 p -78.99 155.7 28.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.013 . . . . 0.0 109.332 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p -79.05 162.95 25.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.305 -0.872 . . . . 0.0 109.226 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -60.03 -24.99 64.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.632 -0.668 . . . . 0.0 110.477 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -61.73 -37.25 83.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.959 -1.088 . . . . 0.0 109.925 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -60.07 -50.95 71.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.156 -0.965 . . . . 0.0 110.502 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -69.93 -33.47 72.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 110.248 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.28 -39.25 75.01 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.614 -0.678 . . . . 0.0 110.24 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -68.62 -39.94 80.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 110.939 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -86.15 14.8 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.029 -1.044 . . . . 0.0 110.685 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.25 -7.2 11.26 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.28 -0.887 . . . . 0.0 110.558 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.22 152.64 23.73 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.902 -1.124 . . . . 0.0 109.311 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -41.86 160.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.994 1.796 . . . . 0.0 112.505 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 ptp -91.4 -18.92 23.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.893 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -138.66 15.21 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.1 30.01 6.58 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.4 -1.059 . . . . 0.0 110.733 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -60.59 149.6 77.87 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 120.679 -1.263 . . . . 0.0 108.938 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.92 153.15 75.11 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.49 2.126 . . . . 0.0 112.89 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 22' ' ' SER . 1.7 p -54.11 -41.88 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.07 -3.63 1.35 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 20' ' ' VAL . 22.8 m -82.17 -20.44 37.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.989 -1.301 . . . . 0.0 109.032 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.78 138.88 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.145 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -63.56 136.12 57.32 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.319 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.64 -20.0 50.03 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -98.3 117.08 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.254 . . . . 0.0 108.212 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.57 176.5 38.29 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.424 -1.471 . . . . 0.0 109.424 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 46.8 mp0 -59.03 -40.14 84.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.243 -1.151 . . . . 0.0 110.439 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.48 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.72 -1.238 . . . . 0.0 109.322 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.61 -39.4 88.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.828 . . . . 0.0 109.408 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.93 96.3 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.8 -39.91 93.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -1.053 . . . . 0.0 110.479 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.03 -43.7 78.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.774 -1.204 . . . . 0.0 109.655 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.85 -39.97 91.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 108.53 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.03 -40.86 90.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.165 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.25 64.44 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -89.68 0.24 57.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.604 -0.685 . . . . 0.0 109.809 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.38 4.63 40.59 Favored Glycine 0 N--CA 1.505 3.243 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.149 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.37 75.55 1.25 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.797 -1.414 . . . . 0.0 109.546 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -83.5 -13.84 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.323 -0.86 . . . . 0.0 110.517 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.94 150.79 50.23 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.02 94.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 111.867 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.93 -19.74 53.48 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.521 -1.362 . . . . 0.0 111.275 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.4 -31.36 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.1 t -74.96 -39.92 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.84 -38.56 82.42 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.17 86.34 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.1 -45.71 92.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.196 -1.179 . . . . 0.0 109.545 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.419 -0.8 . . . . 0.0 109.049 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.74 -39.13 80.49 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.84 -26.88 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -87.96 13.01 11.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.184 -0.947 . . . . 0.0 110.316 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.66 38.99 12.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.765 -1.209 . . . . 0.0 110.437 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 59.99 20.08 9.16 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 110.587 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.73 106.94 2.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.394 -1.442 . . . . 0.0 108.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 60' ' ' ARG . 34.0 tt0 -64.51 -40.03 94.89 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.26 -0.9 . . . . 0.0 112.525 -178.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.599 -1.313 . . . . 0.0 109.602 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.95 -39.3 76.13 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.238 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.23 -49.49 71.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.479 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 56' ' ' GLU . 99.1 mtt180 -60.01 -47.38 86.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.41 -0.806 . . . . 0.0 110.586 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.65 -36.53 84.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.88 -1.137 . . . . 0.0 109.329 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' A' ' 66' ' ' THR . 49.9 t90 -67.07 -43.56 82.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.684 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.9 -49.38 58.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 110.864 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -61.56 -46.82 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.85 -27.07 65.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.825 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 54.6 m -80.26 -34.69 36.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 111.426 -178.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -131.72 -29.89 1.68 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.548 -1.345 . . . . 0.0 112.381 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.07 14.45 24.54 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 155.22 3.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -1.176 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -88.32 169.2 12.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.18 70.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.524 -0.735 . . . . 0.0 111.309 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 3.5 ttmp? -71.46 -40.44 70.33 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.583 -1.323 . . . . 0.0 110.056 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.67 -39.6 88.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.419 -0.8 . . . . 0.0 110.127 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.4 m -65.01 -39.81 93.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.817 . . . . 0.0 110.65 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -60.09 -36.75 78.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.722 -1.236 . . . . 0.0 109.721 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.88 -39.68 83.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.586 -1.321 . . . . 0.0 110.787 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.9 m -68.12 -39.9 82.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.805 -1.184 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.67 -60.91 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.725 -1.234 . . . . 0.0 110.05 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.51 -32.04 81.76 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.87 -49.62 56.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.852 -1.381 . . . . 0.0 109.645 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.05 -40.04 75.35 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.314 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.24 -40.7 95.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.004 -1.06 . . . . 0.0 110.172 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.09 -37.3 75.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.435 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.3 t90 -59.99 -45.33 93.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.739 -1.225 . . . . 0.0 108.308 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.54 -40.05 93.27 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.96 -33.59 72.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.39 -0.819 . . . . 0.0 109.558 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.47 -37.08 20.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.854 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.0 m-85 -104.07 -84.65 0.48 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.36 -0.837 . . . . 0.0 110.519 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.413 -179.517 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.9 ttt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 31.5 p -89.2 142.77 27.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.7 p -78.78 155.56 29.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.38 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -79.1 163.13 25.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.909 . . . . 0.0 109.155 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -60.2 -24.91 65.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.604 -0.685 . . . . 0.0 110.464 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -61.91 -37.34 84.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.972 -1.08 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -59.94 -50.96 71.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.928 . . . . 0.0 110.471 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -70.08 -33.25 71.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -70.48 -39.06 74.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 110.226 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.7 -40.13 80.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.925 . . . . 0.0 110.818 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -85.87 14.7 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 110.699 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.24 -7.23 11.26 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.233 -0.917 . . . . 0.0 110.602 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.12 152.82 24.27 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.834 -1.166 . . . . 0.0 109.238 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -41.86 159.9 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.107 1.871 . . . . 0.0 112.474 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.5 ptp -91.33 -19.01 23.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.265 -0.897 . . . . 0.0 109.841 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.16 -138.69 15.63 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.18 30.01 6.59 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -1.027 . . . . 0.0 110.732 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.83 149.51 80.1 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.817 -1.177 . . . . 0.0 108.899 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.8 153.17 74.43 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.458 2.105 . . . . 0.0 113.001 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' B' ' 22' ' ' SER . 1.8 p -54.12 -41.94 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.548 -0.72 . . . . 0.0 110.051 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.95 -3.76 1.35 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.6 m -82.07 -20.13 38.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.859 -1.377 . . . . 0.0 109.118 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.97 138.86 58.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.113 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 136.28 57.42 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.266 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.55 -20.06 49.91 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.7 mm -98.22 116.98 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.098 -1.237 . . . . 0.0 108.268 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.52 176.5 38.36 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 46.7 mp0 -59.1 -40.02 84.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -1.136 . . . . 0.0 110.512 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.21 -45.55 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 109.299 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.6 -39.45 88.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -0.81 . . . . 0.0 109.432 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.85 96.29 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -1.084 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -67.89 -43.75 78.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.779 -1.201 . . . . 0.0 109.648 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.06 -39.87 91.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.162 -0.961 . . . . 0.0 108.506 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.06 -40.76 90.59 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.198 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.11 64.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 108.952 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.74 0.15 57.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.573 -0.704 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 4.56 40.56 Favored Glycine 0 N--CA 1.504 3.222 0 O-C-N 121.205 -0.935 . . . . 0.0 112.132 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.13 75.55 1.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.669 -1.489 . . . . 0.0 109.59 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -83.37 -13.92 53.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.272 -0.892 . . . . 0.0 110.43 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.84 150.8 50.18 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.267 -0.895 . . . . 0.0 108.991 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.9 94.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.382 -0.824 . . . . 0.0 111.756 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -59.98 -19.85 54.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.56 -1.337 . . . . 0.0 111.405 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -77.95 -31.66 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.4 t -74.92 -39.88 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.0 -38.54 82.9 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.02 -42.11 86.37 Favored Glycine 0 N--CA 1.483 1.805 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.07 -45.64 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.12 -1.224 . . . . 0.0 109.618 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.92 -40.14 87.82 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.406 -0.809 . . . . 0.0 109.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.68 -39.21 80.69 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.85 -26.76 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 110.139 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -87.94 12.99 11.85 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.111 -0.993 . . . . 0.0 110.298 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.77 38.87 12.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.575 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.572 -0.705 . . . . 0.0 110.578 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -68.64 106.72 2.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.448 -1.408 . . . . 0.0 108.467 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.468 ' CD ' ' NH2' ' B' ' 60' ' ' ARG . 33.8 tt0 -64.6 -40.0 94.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.901 . . . . 0.0 112.443 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.13 -40.0 86.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.642 -1.286 . . . . 0.0 109.616 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.98 -39.37 75.98 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.145 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.05 -49.4 72.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.0 109.632 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' CD ' ' B' ' 56' ' ' GLU . 99.1 mtt180 -60.13 -47.4 86.06 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.509 -0.744 . . . . 0.0 110.526 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.55 -36.67 84.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.848 -1.157 . . . . 0.0 109.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' B' ' 66' ' ' THR . 50.1 t90 -66.96 -43.69 82.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 110.691 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.96 -49.34 58.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.98 -1.075 . . . . 0.0 110.849 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.58 -46.76 88.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -68.94 -27.09 65.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.341 -0.849 . . . . 0.0 109.752 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 55.5 m -80.32 -34.47 36.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 111.483 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.1 p -131.93 -29.78 1.64 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.597 -1.314 . . . . 0.0 112.286 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.89 14.58 24.56 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.32 155.17 3.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.176 -1.191 . . . . 0.0 109.926 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -88.11 169.15 12.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -0.974 . . . . 0.0 109.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -28.93 70.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 111.361 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' B' ' 72' ' ' LYS . 3.5 ttmp? -71.53 -40.3 70.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.52 -1.363 . . . . 0.0 110.029 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.8 -39.6 87.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.437 -0.789 . . . . 0.0 110.169 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -64.96 -39.83 94.08 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.312 -0.867 . . . . 0.0 110.669 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -60.04 -36.82 78.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.741 -1.224 . . . . 0.0 109.669 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.58 -39.94 84.85 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.539 -1.351 . . . . 0.0 110.784 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.91 -40.1 83.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.71 -1.244 . . . . 0.0 110.176 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.51 -60.96 2.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.75 -1.218 . . . . 0.0 110.116 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.39 -32.26 82.32 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.65 -49.78 56.42 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.918 -1.342 . . . . 0.0 109.712 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.06 -40.07 75.29 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.31 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.99 -40.89 95.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.088 -1.007 . . . . 0.0 110.1 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.1 -37.17 75.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.166 -0.959 . . . . 0.0 110.55 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -60.1 -45.42 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.767 -1.208 . . . . 0.0 108.254 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.5 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 0.0 109.518 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.53 -36.94 20.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.154 -0.966 . . . . 0.0 109.926 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -104.08 -84.68 0.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.331 -0.856 . . . . 0.0 110.356 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.053 -1.029 . . . . 0.0 109.484 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 tpp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 p -73.06 158.66 34.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.114 -0.991 . . . . 0.0 109.683 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -80.74 170.08 16.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.356 -0.84 . . . . 0.0 109.48 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.6 p -69.05 159.9 32.01 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.81 -25.41 66.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 111.045 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.44 -39.97 95.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.682 -1.262 . . . . 0.0 110.168 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.503 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 69.4 t60 -60.05 -52.42 65.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.91 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -70.07 -34.46 73.2 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.938 -1.101 . . . . 0.0 109.828 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.53 -0.731 . . . . 0.0 110.221 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.39 -40.0 81.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.011 -1.056 . . . . 0.0 110.22 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.13 13.71 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.083 -1.011 . . . . 0.0 110.382 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.92 -7.87 11.35 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.331 -0.856 . . . . 0.0 110.418 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.71 152.9 26.77 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.952 -1.092 . . . . 0.0 109.527 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -41.57 159.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.134 1.889 . . . . 0.0 111.991 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.6 ptp -91.27 -19.17 23.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.24 -140.93 17.47 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.63 29.62 6.42 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.429 -1.042 . . . . 0.0 110.128 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.15 149.16 83.19 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.093 -1.004 . . . . 0.0 108.35 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.53 155.83 64.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.231 1.954 . . . . 0.0 112.757 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' A' ' 22' ' ' SER . 4.4 p -52.57 -43.4 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.633 -0.667 . . . . 0.0 110.238 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.57 -3.05 0.89 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 20' ' ' VAL . 39.0 t -81.52 -21.08 38.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.743 -1.445 . . . . 0.0 109.012 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.84 139.73 58.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.414 -0.804 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.46 136.24 56.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.724 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -21.59 44.17 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG22 HD11 ' A' ' 26' ' ' ILE . 33.9 mm -97.31 115.73 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.108 -1.23 . . . . 0.0 107.914 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.01 178.07 40.3 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -58.66 -40.03 82.34 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -1.085 . . . . 0.0 110.332 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.67 -44.66 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.788 -1.195 . . . . 0.0 109.356 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.02 -37.71 84.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.475 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.91 93.75 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -37.82 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -1.229 . . . . 0.0 110.31 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.08 -45.54 80.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.842 -1.161 . . . . 0.0 110.033 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.56 -38.53 87.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.211 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.0 -40.73 90.23 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.659 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.94 -19.99 65.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.183 -0.948 . . . . 0.0 109.045 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -90.04 0.99 56.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.605 -0.684 . . . . 0.0 109.763 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.24 38.7 3.95 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 121.063 -1.023 . . . . 0.0 111.0 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.43 73.77 1.51 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.122 -1.222 . . . . 0.0 108.893 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -82.55 -12.38 57.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.005 -1.059 . . . . 0.0 110.393 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.92 50.53 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.152 -0.967 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.95 94.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.422 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 30.0 p90 -60.1 -20.13 56.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.712 -1.243 . . . . 0.0 111.433 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -78.45 -32.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.415 -1.428 . . . . 0.0 107.477 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.16 -37.12 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.33 -42.15 93.44 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.96 -40.91 90.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.064 -1.257 . . . . 0.0 109.046 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.01 -39.96 87.64 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.14 -38.69 85.99 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.902 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.24 -28.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 111.428 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 14.42 7.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.877 -1.139 . . . . 0.0 110.821 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm 59.94 19.57 8.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.2 mttt 60.18 19.96 9.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.723 . . . . 0.0 111.219 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 124.75 23.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.463 . . . . 0.0 107.738 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.3 tt0 -64.54 -40.77 96.22 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.102 -0.999 . . . . 0.0 113.503 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.0 -39.84 75.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.533 -1.354 . . . . 0.0 110.559 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.97 -37.41 75.76 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.123 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -63.51 -45.0 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.165 -0.96 . . . . 0.0 109.763 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 96.4 mtt180 -60.04 -45.38 93.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.368 -0.832 . . . . 0.0 111.288 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.71 -36.9 84.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.759 -1.213 . . . . 0.0 109.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.44 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.9 t90 -60.74 -49.63 76.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.075 -1.016 . . . . 0.0 110.919 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.16 -46.3 71.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.954 -1.091 . . . . 0.0 110.303 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -61.11 -49.95 75.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.076 -1.015 . . . . 0.0 110.558 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.37 -26.37 64.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.431 -0.793 . . . . 0.0 109.745 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 54.2 m -79.92 -35.24 38.14 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.256 -0.902 . . . . 0.0 111.033 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.537 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 30.3 p -131.13 -27.24 2.05 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.547 -1.346 . . . . 0.0 111.95 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.67 14.86 20.44 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.537 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.33 153.92 1.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -1.213 . . . . 0.0 109.145 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -90.79 170.71 9.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.776 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.65 72.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.768 . . . . 0.0 110.847 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.41 -41.41 69.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.852 -1.155 . . . . 0.0 110.269 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -67.09 -35.54 80.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -66.92 -38.08 85.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.174 -0.954 . . . . 0.0 109.945 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.07 -38.9 87.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.862 -1.148 . . . . 0.0 110.099 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.16 -39.81 82.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.718 -1.239 . . . . 0.0 110.672 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.48 -39.95 81.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.912 -1.117 . . . . 0.0 110.204 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -60.66 -59.31 5.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.579 -1.326 . . . . 0.0 110.245 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.21 81.57 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.7 t -68.52 -48.21 64.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.07 -1.253 . . . . 0.0 109.428 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.9 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 82' ' ' ARG . 1.2 tpt180 -60.27 -40.72 91.37 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 0.0 111.434 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.2 t90 -59.95 -44.27 94.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.313 -1.492 . . . . 0.0 108.59 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.97 -39.96 93.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.643 -0.66 . . . . 0.0 109.563 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.6 -33.53 71.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.437 -0.789 . . . . 0.0 109.728 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.73 -35.59 17.83 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.302 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 82.3 m-85 -105.32 -85.71 0.48 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.244 -0.91 . . . . 0.0 110.412 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.817 -1.177 . . . . 0.0 108.585 -179.457 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.3 tpp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -72.96 158.87 34.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 109.707 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -80.87 170.04 16.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.33 -0.856 . . . . 0.0 109.454 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.4 p -69.07 159.85 32.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 108.579 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.75 -25.32 66.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.443 -0.786 . . . . 0.0 111.092 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.59 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.606 -1.309 . . . . 0.0 110.16 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.501 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 69.1 t60 -60.02 -52.46 65.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -70.07 -34.47 73.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.041 -1.037 . . . . 0.0 109.792 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.91 -39.44 72.72 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.062 -1.023 . . . . 0.0 110.365 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.14 13.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.025 -1.047 . . . . 0.0 110.274 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.09 -7.97 11.25 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.277 -0.89 . . . . 0.0 110.466 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.67 152.89 26.81 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 120.886 -1.134 . . . . 0.0 109.488 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.54 160.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.074 1.849 . . . . 0.0 112.108 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.6 ptp -91.25 -19.38 23.07 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.252 -0.905 . . . . 0.0 109.645 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.28 -140.93 17.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.64 29.68 6.37 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.418 -1.048 . . . . 0.0 110.117 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.27 149.39 82.96 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 108.289 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.63 155.56 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.286 1.991 . . . . 0.0 112.814 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' B' ' 22' ' ' SER . 4.4 p -52.3 -43.32 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.655 -0.653 . . . . 0.0 110.265 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.59 -3.11 0.92 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.4 t -81.51 -21.09 38.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.798 -1.413 . . . . 0.0 109.045 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.91 139.78 58.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.514 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 136.12 56.74 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.657 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -21.41 44.88 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 26' ' ' ILE . 33.2 mm -97.46 115.63 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.223 -1.163 . . . . 0.0 107.915 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.81 178.19 40.7 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -58.75 -39.95 82.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.444 -1.033 . . . . 0.0 110.327 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.76 -44.75 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.127 . . . . 0.0 109.312 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.93 -37.69 84.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.98 93.96 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.52 -37.88 88.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -1.21 . . . . 0.0 110.306 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.01 -45.52 81.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.773 -1.204 . . . . 0.0 109.994 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.69 -38.52 88.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -0.991 . . . . 0.0 109.105 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.05 -40.71 90.35 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.607 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.01 -20.01 64.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.156 -0.965 . . . . 0.0 109.024 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -90.0 0.94 56.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.46 -0.775 . . . . 0.0 109.717 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.29 38.8 3.91 Favored Glycine 0 N--CA 1.499 2.894 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.965 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.48 73.76 1.5 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.167 -1.196 . . . . 0.0 108.875 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -82.62 -12.23 57.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.977 -1.077 . . . . 0.0 110.368 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.9 50.56 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.067 -1.021 . . . . 0.0 109.873 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.97 94.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.551 -0.718 . . . . 0.0 111.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 30.3 p90 -60.22 -20.03 57.01 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.647 -1.283 . . . . 0.0 111.429 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.53 -31.98 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.393 -1.442 . . . . 0.0 107.454 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -78.17 -37.21 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 33.5 tp -59.94 -39.75 86.6 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.55 -41.97 93.8 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.05 -40.92 91.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -1.218 . . . . 0.0 108.967 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.96 -40.03 87.63 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.07 -38.76 86.35 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.25 -28.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.473 -0.767 . . . . 0.0 111.343 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.87 14.33 7.44 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.831 -1.168 . . . . 0.0 110.797 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 59.94 19.55 8.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.301 -0.875 . . . . 0.0 109.475 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 60.12 19.99 9.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.519 -0.738 . . . . 0.0 111.229 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.76 124.68 23.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.481 -1.387 . . . . 0.0 107.714 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.4 tt0 -64.57 -40.77 96.15 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.172 -0.955 . . . . 0.0 113.528 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.97 -39.86 75.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.697 -1.252 . . . . 0.0 110.612 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.39 75.86 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.113 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.5 -44.9 93.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 109.814 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 96.4 mtt180 -60.11 -45.48 92.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.803 . . . . 0.0 111.223 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.6 -36.97 85.28 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.702 -1.249 . . . . 0.0 109.262 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.9 t90 -60.65 -49.64 76.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 110.9 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.19 -46.47 70.56 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.107 -0.996 . . . . 0.0 110.265 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.05 -49.96 75.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.126 -0.984 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.24 -26.4 64.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.865 . . . . 0.0 109.736 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 54.3 m -79.99 -35.21 37.8 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.206 -0.934 . . . . 0.0 111.132 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.511 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 30.3 p -130.99 -27.32 2.07 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.644 -1.285 . . . . 0.0 111.92 -178.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.47 15.05 20.32 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.511 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -51.27 153.76 1.93 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.01 -1.288 . . . . 0.0 109.104 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.58 170.7 9.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.109 -0.994 . . . . 0.0 109.802 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.65 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.468 -0.77 . . . . 0.0 110.853 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.3 -41.47 69.9 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.701 -1.249 . . . . 0.0 110.202 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.07 -35.84 80.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 0.0 110.508 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 19.5 p -66.67 -38.11 86.15 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.09 -38.81 87.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.852 -1.155 . . . . 0.0 110.119 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.07 -39.95 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.717 -1.239 . . . . 0.0 110.68 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.44 -40.12 81.27 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.887 -1.133 . . . . 0.0 110.126 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.42 -59.29 5.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.21 81.8 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.096 -1.05 . . . . 0.0 110.484 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.8 t -68.49 -48.23 64.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.11 -1.23 . . . . 0.0 109.4 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.921 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' B' ' 82' ' ' ARG . 1.2 tpt180 -60.21 -40.77 91.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.141 -0.974 . . . . 0.0 109.185 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.501 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -39.98 75.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 111.531 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.14 -44.08 95.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.217 -1.552 . . . . 0.0 108.559 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.01 -39.99 94.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.518 -0.739 . . . . 0.0 109.541 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.66 -33.46 71.57 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.464 -0.773 . . . . 0.0 109.738 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.77 -35.53 17.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 82.1 m-85 -105.28 -85.72 0.48 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.329 -0.857 . . . . 0.0 110.366 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.856 -1.153 . . . . 0.0 108.72 -179.459 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p -85.1 161.59 19.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.238 -0.914 . . . . 0.0 110.512 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 p -82.48 170.07 15.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.578 -0.701 . . . . 0.0 109.472 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.4 p -70.02 166.5 19.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.154 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.37 -19.74 56.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.814 -0.554 . . . . 0.0 110.818 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.51 -37.32 87.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.681 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.66 -49.3 78.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.072 -1.018 . . . . 0.0 110.522 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.93 -31.03 68.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.11 -0.994 . . . . 0.0 110.328 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.5 -39.97 73.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.166 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -67.2 -42.25 84.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 110.483 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.9 14.77 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.071 -1.018 . . . . 0.0 110.03 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.65 -9.8 13.71 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.425 -0.797 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.65 153.15 28.56 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.843 -1.16 . . . . 0.0 109.959 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.74 160.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.81 1.673 . . . . 0.0 111.373 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 ptp -88.93 -19.97 25.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.964 -1.085 . . . . 0.0 109.496 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.58 -142.65 11.25 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.63 28.89 5.67 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.582 -0.952 . . . . 0.0 110.377 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.75 88.67 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 120.99 -1.069 . . . . 0.0 108.443 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.4 159.45 50.28 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.403 2.069 . . . . 0.0 112.746 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 22' ' ' SER . 5.5 p -55.7 -46.08 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.694 -0.629 . . . . 0.0 111.081 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.67 -2.9 0.36 Allowed Glycine 0 N--CA 1.492 2.423 0 O-C-N 121.33 -0.856 . . . . 0.0 110.987 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.484 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.8 m -81.0 -18.19 47.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.735 -1.45 . . . . 0.0 109.564 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.86 136.44 56.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.29 139.7 58.08 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.06 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.32 60.13 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 26' ' ' ILE . 33.1 mm -97.41 118.0 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.73 169.35 40.67 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -1.07 . . . . 0.0 110.106 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.44 -42.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.925 -1.11 . . . . 0.0 109.424 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.78 -38.76 87.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.324 -0.86 . . . . 0.0 109.709 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.84 96.24 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.24 -38.89 90.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.147 . . . . 0.0 110.602 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.91 -42.3 90.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.684 -1.26 . . . . 0.0 109.978 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.16 -39.02 91.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.044 -1.035 . . . . 0.0 109.482 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.188 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.55 -19.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 109.191 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.29 -2.06 58.39 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.82 2.03 36.75 Favored Glycine 0 N--CA 1.505 3.278 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.538 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -102.09 75.49 1.52 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.878 -1.366 . . . . 0.0 108.196 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -78.81 -12.37 60.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.528 -0.732 . . . . 0.0 110.757 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.69 159.48 42.0 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.981 -1.074 . . . . 0.0 110.137 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.25 90.3 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -57.22 -18.42 15.84 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.239 -1.538 . . . . 0.0 111.459 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.97 -33.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.494 -1.379 . . . . 0.0 108.461 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.29 -39.9 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.97 -38.49 82.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.71 -41.58 90.33 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.09 -42.81 95.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -1.176 . . . . 0.0 108.995 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.19 -0.944 . . . . 0.0 109.021 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.39 -38.76 78.13 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.22 -22.52 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.33 13.54 15.18 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.066 -1.021 . . . . 0.0 110.92 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.49 39.58 13.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.581 -1.325 . . . . 0.0 109.977 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.04 19.99 9.15 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.227 -0.921 . . . . 0.0 110.778 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -66.91 106.95 2.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.387 -1.446 . . . . 0.0 108.122 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.2 -40.64 98.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.397 -0.815 . . . . 0.0 112.426 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.2 m-20 -69.54 -39.31 77.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.764 -1.21 . . . . 0.0 109.993 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.02 -38.85 76.02 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.038 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -63.58 -50.08 70.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.195 -0.941 . . . . 0.0 109.974 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.4 mtm180 -61.4 -45.63 93.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.42 -0.8 . . . . 0.0 110.887 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.64 -36.66 83.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.108 . . . . 0.0 108.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 64.7 t90 -63.76 -46.44 85.3 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.936 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.94 -48.29 63.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.188 -0.945 . . . . 0.0 111.112 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.38 -49.06 78.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 110.576 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.02 -26.11 63.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 110.013 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 54.7 m -80.46 -34.21 36.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 110.902 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.61 -31.84 1.76 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.649 -1.282 . . . . 0.0 111.661 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.1 15.88 13.55 Favored Glycine 0 N--CA 1.499 2.894 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.78 2.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.126 -1.22 . . . . 0.0 109.622 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.71 172.12 8.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.235 -0.916 . . . . 0.0 110.196 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.7 75.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 110.868 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.28 73.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.696 -1.253 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.61 -40.03 88.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.328 -0.857 . . . . 0.0 110.322 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.1 m -64.11 -39.29 93.73 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.32 -0.862 . . . . 0.0 110.643 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -59.99 -38.22 81.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.71 -1.244 . . . . 0.0 109.593 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.74 -38.78 83.97 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.803 -1.185 . . . . 0.0 110.658 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.09 -39.92 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.9 -1.125 . . . . 0.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.66 -60.02 4.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.494 -1.379 . . . . 0.0 110.013 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.69 73.42 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.7 t -69.99 -50.15 44.47 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.172 -1.193 . . . . 0.0 109.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.74 -41.24 68.71 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.488 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.64 -40.7 95.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.363 -0.836 . . . . 0.0 110.726 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -70.19 -36.92 74.96 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.7 t90 -60.55 -45.99 91.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.52 -1.363 . . . . 0.0 108.512 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 90.7 m -60.03 -40.03 87.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.533 -0.729 . . . . 0.0 110.18 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -59.89 -31.22 69.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.067 -1.021 . . . . 0.0 109.982 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.31 -33.24 15.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.047 -1.033 . . . . 0.0 110.76 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -111.09 2.76 18.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.277 -0.89 . . . . 0.0 112.067 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 7.3 tp . . . . . 0 N--CA 1.503 2.182 0 O-C-N 120.915 -1.116 . . . . 0.0 109.09 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -85.1 161.64 19.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.287 -0.883 . . . . 0.0 110.522 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 71.7 p -82.46 170.02 15.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.638 -0.664 . . . . 0.0 109.444 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.6 p -70.01 166.48 19.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.208 -0.932 . . . . 0.0 110.148 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.51 -19.47 57.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.897 -0.502 . . . . 0.0 110.81 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.67 -37.24 86.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.982 -1.074 . . . . 0.0 109.698 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.75 -49.25 78.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 110.446 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.04 -30.98 68.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.117 -0.989 . . . . 0.0 110.281 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.46 -40.04 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.918 . . . . 0.0 110.21 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -67.21 -42.24 84.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.89 14.89 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.085 -1.01 . . . . 0.0 110.007 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.88 -9.74 13.62 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.453 -0.779 . . . . 0.0 110.505 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.57 153.07 28.54 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 120.857 -1.152 . . . . 0.0 109.905 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -42.7 160.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 121.8 1.667 . . . . 0.0 111.405 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.3 ptp -89.18 -20.04 24.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 109.398 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.62 -142.62 11.46 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.8 29.04 5.63 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -1.001 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.68 88.77 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.045 -1.035 . . . . 0.0 108.449 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.38 159.48 50.05 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.353 2.035 . . . . 0.0 112.78 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' B' ' 22' ' ' SER . 5.4 p -55.75 -46.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.691 -0.631 . . . . 0.0 111.02 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.56 -2.99 0.35 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.475 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.6 m -81.01 -18.11 47.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.724 -1.456 . . . . 0.0 109.611 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.79 136.42 56.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.147 -0.97 . . . . 0.0 109.791 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.3 139.72 58.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.644 0.735 . . . . 0.0 110.11 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.31 60.14 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 26' ' ' ILE . 33.2 mm -97.43 118.14 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.72 169.38 40.73 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.98 -39.95 75.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -1.057 . . . . 0.0 110.168 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.49 -42.54 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.975 -1.078 . . . . 0.0 109.459 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.9 -38.67 86.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.298 -0.876 . . . . 0.0 109.68 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.89 96.29 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.2 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.276 -1.131 . . . . 0.0 110.629 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.83 -42.47 90.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.635 -1.291 . . . . 0.0 109.912 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.05 -39.01 90.9 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.188 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.52 -19.28 63.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.24 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.31 -2.05 58.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.567 -0.708 . . . . 0.0 110.082 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.79 1.92 36.82 Favored Glycine 0 N--CA 1.504 3.193 0 O-C-N 121.1 -1.0 . . . . 0.0 111.606 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -101.95 75.5 1.54 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.983 -1.304 . . . . 0.0 108.181 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -78.82 -12.41 60.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 110.745 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.66 159.5 41.95 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.979 -1.076 . . . . 0.0 110.134 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.18 90.74 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -57.3 -18.39 16.55 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.281 -1.512 . . . . 0.0 111.412 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -80.01 -33.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.555 -1.341 . . . . 0.0 108.42 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.21 -40.0 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 tp -60.03 -38.37 82.5 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.61 90.28 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.08 -42.83 95.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -1.216 . . . . 0.0 108.926 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.253 -0.904 . . . . 0.0 109.063 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.45 -38.84 77.98 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.745 -0.782 . . . . 0.0 108.895 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -22.65 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.348 -0.845 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.31 13.59 14.99 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.131 -0.981 . . . . 0.0 110.865 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.5 39.51 13.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.611 -1.306 . . . . 0.0 110.004 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.05 19.96 9.13 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.296 -0.877 . . . . 0.0 110.798 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.82 106.88 2.0 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.358 -1.464 . . . . 0.0 108.175 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -40.71 98.41 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.373 -0.829 . . . . 0.0 112.445 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.494 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.2 m-20 -69.4 -39.37 77.97 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.765 -1.209 . . . . 0.0 110.089 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.96 -38.87 76.22 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.059 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.66 -49.99 71.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.925 . . . . 0.0 109.957 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.4 mtm180 -61.46 -45.66 93.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 110.797 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.55 -36.74 83.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.884 -1.135 . . . . 0.0 108.818 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.46 ' O ' ' OG1' ' B' ' 66' ' ' THR . 64.4 t90 -63.81 -46.34 85.58 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.0 -48.27 63.49 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.162 -0.961 . . . . 0.0 111.136 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.39 -49.2 77.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.051 -1.03 . . . . 0.0 110.555 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -69.86 -26.17 64.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.999 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 54.5 m -80.36 -34.41 36.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.046 -1.034 . . . . 0.0 110.879 -178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.4 -31.9 1.8 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.734 -1.229 . . . . 0.0 111.704 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.05 16.0 13.38 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.74 2.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.107 -1.231 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.64 172.13 8.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.234 -0.916 . . . . 0.0 110.221 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.68 75.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.541 -0.725 . . . . 0.0 110.921 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.18 73.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.575 -1.328 . . . . 0.0 110.088 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.65 -39.98 88.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 110.389 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 66.1 m -64.22 -39.22 93.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.354 -0.841 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -60.02 -38.17 81.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.787 -1.195 . . . . 0.0 109.631 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.8 -38.71 83.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.76 -1.213 . . . . 0.0 110.74 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -66.99 -40.05 87.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.793 -1.192 . . . . 0.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.64 -59.99 4.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.53 -1.356 . . . . 0.0 109.978 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -31.7 73.32 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 -50.14 44.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.858 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.7 -41.25 68.84 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.519 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.63 -40.8 96.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 110.631 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -70.04 -37.04 75.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.564 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.6 t90 -60.53 -46.04 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.582 -1.324 . . . . 0.0 108.482 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' B' ' 89' ' ' LEU . 88.5 m -59.96 -40.09 87.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 0.0 110.173 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.8 -31.3 69.58 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.041 -1.037 . . . . 0.0 109.971 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.3 -33.18 15.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.153 -0.967 . . . . 0.0 110.758 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.9 m-85 -111.05 2.77 18.14 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.281 -0.887 . . . . 0.0 112.003 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 85' ' ' CYS . 6.6 tp . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.77 -1.206 . . . . 0.0 109.219 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 t -104.99 120.11 40.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.46 -0.775 . . . . 0.0 109.672 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -81.57 160.02 23.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.4 p -70.08 160.36 32.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.341 -0.849 . . . . 0.0 109.204 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.94 -24.9 64.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 110.515 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.94 -39.07 88.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.888 -1.133 . . . . 0.0 109.78 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.8 t60 -58.45 -49.97 75.4 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.964 -1.085 . . . . 0.0 110.089 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 83.9 mtm180 -69.97 -32.72 71.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.251 -0.906 . . . . 0.0 110.302 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.34 -39.94 95.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 108.556 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -61.42 -52.39 64.75 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.92 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.79 5.79 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.238 -0.914 . . . . 0.0 111.959 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -99.51 -21.0 16.12 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.881 -1.137 . . . . 0.0 109.359 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.87 152.02 36.21 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 159.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.592 1.528 . . . . 0.0 111.099 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.4 ptp -87.42 -23.85 24.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.869 -1.144 . . . . 0.0 108.837 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.91 -141.53 14.6 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.77 30.09 5.34 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.923 . . . . 0.0 110.41 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -60.01 147.97 78.6 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.9 153.97 75.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.557 2.171 . . . . 0.0 113.573 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.49 -32.27 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.33 0.586 . . . . 0.0 110.367 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.39 -4.43 51.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -83.52 -18.81 37.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.858 -1.378 . . . . 0.0 109.336 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.4 134.16 55.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 109.778 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -63.91 134.03 54.36 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.688 0.756 . . . . 0.0 109.874 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.72 -19.4 52.52 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 26' ' ' ILE . 31.7 mm -99.03 118.78 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.15 -1.206 . . . . 0.0 108.466 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.53 175.38 39.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.06 -40.05 80.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -1.052 . . . . 0.0 111.05 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.68 -41.48 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.754 -1.216 . . . . 0.0 109.356 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.02 -37.32 83.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.05 96.47 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.99 -40.07 96.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.381 -1.07 . . . . 0.0 110.707 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.04 -43.01 79.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.549 -1.344 . . . . 0.0 110.13 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.56 -39.01 89.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.893 -1.13 . . . . 0.0 108.429 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.91 -41.14 91.05 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.384 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.26 -19.59 65.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 108.686 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -90.64 1.91 56.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.52 -0.738 . . . . 0.0 109.863 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 39.02 4.06 Favored Glycine 0 N--CA 1.498 2.808 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.952 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.16 71.41 1.47 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.989 -1.301 . . . . 0.0 108.687 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -80.99 -13.17 59.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.941 . . . . 0.0 110.409 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -130.07 151.04 51.05 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.273 -0.892 . . . . 0.0 109.589 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.0 93.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.582 -0.699 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -58.28 -19.15 32.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.597 -1.314 . . . . 0.0 110.765 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -78.09 -32.58 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -75.95 -36.32 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.92 -38.24 81.78 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.45 98.24 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -43.6 94.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.911 -1.347 . . . . 0.0 108.843 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.98 -40.31 88.69 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -0.792 . . . . 0.0 109.101 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.13 -37.77 81.48 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.89 -29.25 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.466 -0.771 . . . . 0.0 110.445 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.66 11.84 10.02 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.015 . . . . 0.0 110.296 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 47.93 38.7 9.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.793 -1.192 . . . . 0.0 109.957 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 60.02 20.64 9.77 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.667 -0.646 . . . . 0.0 110.706 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.25 105.52 2.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.454 -1.404 . . . . 0.0 108.18 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.44 -40.04 94.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.462 -0.773 . . . . 0.0 112.349 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.26 -39.3 78.53 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.708 -1.245 . . . . 0.0 110.216 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.98 -37.81 75.85 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.27 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -63.85 -43.64 95.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.89 -47.72 84.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.999 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.44 -39.68 94.14 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.674 -1.266 . . . . 0.0 109.074 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.45 ' O ' ' OG1' ' A' ' 66' ' ' THR . 70.6 t90 -64.5 -47.98 76.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 111.5 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.19 -46.2 71.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.053 -1.03 . . . . 0.0 110.913 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.84 -42.06 95.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.012 -1.055 . . . . 0.0 109.762 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.02 -31.76 69.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.496 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 94.0 m -76.89 -36.84 56.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.427 -0.796 . . . . 0.0 111.147 -178.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.2 p -131.92 -36.75 1.18 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.648 -1.282 . . . . 0.0 111.859 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.29 18.47 6.68 Favored Glycine 0 N--CA 1.503 3.116 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.59 152.14 5.34 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.078 -1.248 . . . . 0.0 110.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -90.95 169.97 10.45 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.791 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.98 70.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.469 -0.769 . . . . 0.0 111.003 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.04 -41.62 74.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.734 -1.229 . . . . 0.0 110.08 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.17 -37.02 83.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.4 -0.813 . . . . 0.0 110.603 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -67.12 -37.71 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 110.088 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -59.89 -38.96 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.887 -1.133 . . . . 0.0 109.582 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -67.02 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.801 -1.187 . . . . 0.0 110.535 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 93.3 m -68.94 -40.01 79.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.725 -1.234 . . . . 0.0 110.496 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.24 -60.43 3.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.681 -1.262 . . . . 0.0 110.193 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.69 72.81 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.24 -51.04 41.57 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.104 -1.233 . . . . 0.0 109.977 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -70.72 -40.24 72.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.864 -1.148 . . . . 0.0 109.774 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.39 -42.19 99.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.123 -0.986 . . . . 0.0 110.651 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 98.4 mt-10 -70.0 -36.09 74.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.048 -1.033 . . . . 0.0 110.584 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.554 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.0 t90 -58.92 -39.69 82.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.39 -1.444 . . . . 0.0 107.828 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.41 ' O ' ' OXT' ' A' ' 89' ' ' LEU . 63.2 m -61.51 -39.95 92.84 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.25 -37.46 83.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.558 -0.714 . . . . 0.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.2 -40.08 14.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.068 -1.02 . . . . 0.0 110.588 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 -103.93 -85.9 0.46 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.201 -0.937 . . . . 0.0 110.213 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' OXT' ' O ' ' A' ' 85' ' ' CYS . 20.1 tp . . . . . 0 N--CA 1.494 1.756 0 O-C-N 120.907 -1.121 . . . . 0.0 109.256 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 8.3 t -104.91 120.03 40.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.425 -0.797 . . . . 0.0 109.706 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p -81.73 160.01 23.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.216 -0.928 . . . . 0.0 109.902 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -70.03 160.32 32.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 0.0 109.27 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.9 -25.01 64.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.677 -0.639 . . . . 0.0 110.559 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.81 -39.09 87.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.897 -1.127 . . . . 0.0 109.763 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.507 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.8 t60 -58.42 -49.98 75.33 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.019 . . . . 0.0 110.113 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 83.9 mtm180 -69.98 -32.8 71.19 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.22 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.0 108.611 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.33 -52.45 64.64 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.999 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.64 5.47 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.248 -0.908 . . . . 0.0 111.967 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 8' ' ' ARG . . . -99.28 -20.96 16.29 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.893 -1.13 . . . . 0.0 109.292 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.84 152.07 36.41 Favored Pre-proline 0 C--N 1.302 -1.479 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.2 158.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.581 1.521 . . . . 0.0 111.026 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.4 ptp -87.39 -23.79 24.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.898 -1.126 . . . . 0.0 108.787 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.94 -141.38 15.06 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -104.07 30.08 5.46 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.967 . . . . 0.0 110.3 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -59.98 147.89 78.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.9 153.98 75.88 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.538 2.159 . . . . 0.0 113.554 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.45 -32.3 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 121.347 0.594 . . . . 0.0 110.467 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.3 -4.64 51.54 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -83.27 -18.92 37.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.95 -1.323 . . . . 0.0 109.396 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.31 134.15 55.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.829 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.495 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -63.81 134.05 54.54 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.55 0.691 . . . . 0.0 109.92 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.82 -19.59 51.59 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.13 118.95 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.532 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.67 175.46 38.82 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.17 -39.99 80.28 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.379 -1.071 . . . . 0.0 111.085 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.57 -41.45 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 109.525 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.16 -37.24 83.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 109.497 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.92 96.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.16 -39.69 95.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.203 -1.175 . . . . 0.0 110.776 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.581 -1.325 . . . . 0.0 110.134 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.65 -39.04 89.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.919 -1.113 . . . . 0.0 108.329 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.03 -40.95 91.11 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.378 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.3 -19.64 65.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.255 -0.903 . . . . 0.0 108.771 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -90.45 1.64 56.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.54 -0.725 . . . . 0.0 109.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 39.01 4.02 Favored Glycine 0 N--CA 1.5 2.903 0 O-C-N 121.119 -0.988 . . . . 0.0 110.962 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -133.08 71.32 1.47 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.964 -1.315 . . . . 0.0 108.759 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -80.73 -13.3 59.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 110.475 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.95 151.0 50.99 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.171 -0.956 . . . . 0.0 109.621 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.92 93.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.602 -0.687 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -58.32 -18.79 29.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.737 -1.227 . . . . 0.0 110.862 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.3 -32.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.96 -36.29 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 23.9 tp -60.06 -38.03 81.63 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.34 98.29 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -43.72 94.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.852 -1.381 . . . . 0.0 108.838 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.01 -40.34 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.742 . . . . 0.0 109.096 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.11 -37.7 81.44 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.04 -29.22 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.396 -0.815 . . . . 0.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.58 11.59 10.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 48.18 38.46 9.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.757 -1.214 . . . . 0.0 110.053 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.98 21.08 10.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.644 -0.66 . . . . 0.0 110.692 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.49 105.14 2.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.468 -1.395 . . . . 0.0 108.141 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.07 -40.11 95.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.407 -0.808 . . . . 0.0 112.318 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.27 -39.46 78.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.795 -1.191 . . . . 0.0 110.178 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.98 -37.85 75.85 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.2 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -63.75 -43.65 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 109.801 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -59.96 -47.27 86.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.857 . . . . 0.0 111.101 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.86 -39.72 95.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.568 -1.333 . . . . 0.0 108.968 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.447 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.5 t90 -64.4 -48.05 76.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 111.438 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.21 -46.0 71.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.002 -1.061 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.91 -42.1 95.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 109.761 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.91 -32.09 70.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.452 -0.78 . . . . 0.0 109.38 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.3 m -76.62 -37.18 56.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.395 -0.815 . . . . 0.0 111.177 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.1 p -131.75 -36.49 1.22 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.674 -1.266 . . . . 0.0 111.914 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.15 18.39 6.79 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 152.09 5.26 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.097 -1.237 . . . . 0.0 110.068 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.98 170.09 10.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.709 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.01 70.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.462 -0.774 . . . . 0.0 110.947 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.12 -41.49 73.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.687 -1.258 . . . . 0.0 110.091 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.08 -37.24 83.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.338 -0.851 . . . . 0.0 110.618 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -66.89 -37.7 84.88 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.092 -1.005 . . . . 0.0 110.222 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -60.05 -39.04 84.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.437 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.93 -39.85 87.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.758 -1.214 . . . . 0.0 110.528 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 93.4 m -68.93 -40.02 79.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.715 -1.241 . . . . 0.0 110.521 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.11 -60.59 3.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.654 -1.279 . . . . 0.0 110.162 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -31.75 72.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.03 -51.08 42.8 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.048 -1.266 . . . . 0.0 110.02 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.69 -40.44 72.9 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.756 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.18 -42.28 99.13 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.068 -1.02 . . . . 0.0 110.635 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.507 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 98.5 mt-10 -69.91 -36.17 75.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.037 -1.039 . . . . 0.0 110.657 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.3 t90 -58.95 -39.66 82.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.318 -1.489 . . . . 0.0 107.768 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 63.4 m -61.54 -40.07 93.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.85 83.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.472 -0.768 . . . . 0.0 110.363 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -39.88 15.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.076 -1.015 . . . . 0.0 110.606 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.4 m-85 -103.97 -85.78 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.907 -1.121 . . . . 0.0 109.15 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.279 0.562 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.9 m -74.86 130.43 39.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 109.42 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -70.51 157.36 38.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 109.647 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.2 m -83.77 170.34 14.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.29 -19.68 64.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 110.31 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.71 -38.07 89.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.962 -1.086 . . . . 0.0 110.234 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -58.9 -50.16 75.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.992 -1.068 . . . . 0.0 110.065 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' A' ' 8' ' ' ARG . 21.8 mmm-85 -69.96 -33.26 71.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.243 -0.911 . . . . 0.0 110.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.12 -38.83 75.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -65.28 -45.28 85.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 110.074 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.104 -0.997 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.37 -11.47 15.53 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.406 -0.809 . . . . 0.0 110.607 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -153.98 151.85 25.52 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 109.336 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -40.16 162.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.258 0 C-N-CA 121.956 1.77 . . . . 0.0 111.854 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -89.84 -25.99 20.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.87 -138.77 29.56 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.53 29.67 6.34 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.49 -1.006 . . . . 0.0 110.366 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -60.86 149.53 80.21 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.976 -1.078 . . . . 0.0 108.703 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.07 156.83 64.6 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.399 2.066 . . . . 0.0 112.8 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 22' ' ' SER . 4.4 p -55.14 -44.64 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.749 -0.595 . . . . 0.0 110.63 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.39 -4.24 0.8 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 20' ' ' VAL . 67.6 m -80.99 -20.59 41.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.758 -1.436 . . . . 0.0 109.446 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.21 136.64 57.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 110.012 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 136.94 57.43 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.21 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.91 -18.01 56.46 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.9 117.01 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.364 -1.08 . . . . 0.0 108.093 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.06 174.34 38.76 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.05 -40.14 80.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -1.093 . . . . 0.0 110.586 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -42.02 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.829 -1.169 . . . . 0.0 109.528 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.49 -38.15 83.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.294 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.94 -37.2 92.27 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.85 -40.02 95.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.359 -1.083 . . . . 0.0 110.658 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.63 -44.04 83.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.544 -1.347 . . . . 0.0 109.689 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.912 -1.117 . . . . 0.0 109.236 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.11 -41.58 96.95 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.652 -0.655 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.08 -21.96 65.85 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 109.624 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.11 2.41 55.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.192 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.61 3.85 32.42 Favored Glycine 0 N--CA 1.506 3.342 0 O-C-N 120.832 -1.168 . . . . 0.0 112.105 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.09 74.51 1.21 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.731 -1.452 . . . . 0.0 108.852 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -80.14 -10.74 59.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.705 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -137.03 158.17 45.07 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.966 -1.084 . . . . 0.0 110.459 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -40.55 89.48 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.79 -18.75 34.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.219 -1.551 . . . . 0.0 110.99 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -79.15 -35.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.556 -1.34 . . . . 0.0 107.926 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.07 -39.4 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 tp -59.97 -39.02 84.24 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.57 -43.83 53.32 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.12 -40.89 91.27 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.211 -1.17 . . . . 0.0 108.862 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.4 -39.9 88.99 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.211 -0.93 . . . . 0.0 108.526 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 73.6 mt -67.36 -39.75 85.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.78 -31.18 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.432 -0.792 . . . . 0.0 110.597 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.55 15.55 7.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 110.097 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 48.06 39.35 11.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.939 -1.101 . . . . 0.0 110.296 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 60.06 20.01 9.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.456 -0.777 . . . . 0.0 110.66 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.38 114.31 5.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.646 -1.284 . . . . 0.0 108.187 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.99 -42.66 94.31 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.0 m-20 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.446 -1.409 . . . . 0.0 110.678 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.74 -38.86 76.98 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.034 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.64 -49.97 71.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.175 -0.953 . . . . 0.0 109.954 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 82.4 mtm180 -60.05 -43.77 95.15 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.249 -0.907 . . . . 0.0 110.491 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.59 -37.48 87.47 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.958 -1.089 . . . . 0.0 108.929 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.463 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -63.92 -47.32 81.0 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.435 -0.791 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.26 -48.29 65.47 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 110.572 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.1 -47.29 86.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.156 -0.965 . . . . 0.0 109.914 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.9 t0 -69.22 -29.74 67.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.526 -0.734 . . . . 0.0 109.563 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -78.8 -35.21 44.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 0.0 111.137 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.42 -28.95 2.04 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.12 14.6 22.16 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.87 1.64 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.159 -1.2 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -90.67 172.43 8.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.059 -1.026 . . . . 0.0 110.203 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.53 75.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.645 -0.659 . . . . 0.0 110.468 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.07 -40.37 71.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.786 -1.196 . . . . 0.0 109.742 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.68 -38.36 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.398 -0.814 . . . . 0.0 110.422 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -66.42 -38.55 87.7 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.062 -1.024 . . . . 0.0 110.275 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.01 -37.08 78.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.858 -1.151 . . . . 0.0 109.467 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.0 -38.8 83.06 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.769 -1.207 . . . . 0.0 110.448 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.4 -39.94 81.47 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.805 -1.184 . . . . 0.0 109.908 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.99 -60.9 3.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.807 -1.183 . . . . 0.0 110.147 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.16 -33.05 82.76 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.0 t -69.81 -48.96 57.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.99 -40.04 75.56 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.763 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -61.9 -39.99 93.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.165 -0.96 . . . . 0.0 109.897 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -69.04 -39.0 79.46 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 110.409 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.8 t90 -60.7 -44.59 96.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.37 -1.456 . . . . 0.0 108.495 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 89' ' ' LEU . 57.2 m -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.923 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.62 -32.73 70.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 110.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.16 -33.22 14.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.195 -0.941 . . . . 0.0 111.378 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.9 m-85 -111.79 0.12 16.11 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.192 -0.942 . . . . 0.0 112.617 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' CYS . 11.4 tp . . . . . 0 N--CA 1.503 2.187 0 O-C-N 120.614 -1.304 . . . . 0.0 109.09 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.265 0.555 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -74.69 130.46 39.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -70.53 157.31 38.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.6 m -83.68 170.21 14.49 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.23 -19.67 64.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.674 -0.642 . . . . 0.0 110.381 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.76 -38.1 89.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.001 -1.062 . . . . 0.0 110.203 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -58.76 -50.13 75.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.128 . . . . 0.0 110.151 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' B' ' 8' ' ' ARG . 21.8 mmm-85 -70.04 -33.2 71.66 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.17 -0.956 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -38.91 75.91 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.334 -0.854 . . . . 0.0 110.093 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.26 -45.19 85.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 110.036 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 109.803 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.57 -11.23 15.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.413 -0.804 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.07 151.73 25.14 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.882 -1.136 . . . . 0.0 109.357 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -40.24 162.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 121.929 1.753 . . . . 0.0 111.888 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptp -89.87 -25.65 20.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.45 -138.8 27.71 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.34 29.63 6.3 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.456 -1.026 . . . . 0.0 110.426 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -60.72 149.43 79.54 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 108.755 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.87 156.75 64.72 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.468 2.112 . . . . 0.0 112.885 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 4.3 p -55.06 -44.83 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.636 -0.665 . . . . 0.0 110.562 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.22 -4.19 0.74 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 67.0 m -81.19 -20.52 41.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.822 -1.399 . . . . 0.0 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 136.7 57.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.951 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 136.9 57.37 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.241 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.84 -17.75 56.9 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.8 mm -99.02 116.9 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.308 -1.113 . . . . 0.0 108.103 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.95 174.23 38.82 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.87 -40.35 79.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 0.0 110.55 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -41.95 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.78 -1.2 . . . . 0.0 109.582 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.38 -38.24 84.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 109.323 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.31 92.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.64 -39.9 95.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.49 -1.006 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.72 -44.0 82.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.584 -1.323 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.53 -40.11 95.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.852 -1.155 . . . . 0.0 109.225 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.4 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.87 -22.05 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.229 -0.919 . . . . 0.0 109.559 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.1 2.54 55.15 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.286 -0.884 . . . . 0.0 111.244 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 3.99 32.77 Favored Glycine 0 N--CA 1.506 3.355 0 O-C-N 120.907 -1.121 . . . . 0.0 112.127 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.22 74.46 1.19 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.729 -1.454 . . . . 0.0 108.854 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -80.06 -10.69 59.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.415 -0.803 . . . . 0.0 110.782 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -137.06 158.18 45.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.02 -1.05 . . . . 0.0 110.523 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.67 89.84 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.69 -18.93 35.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.279 -1.513 . . . . 0.0 110.998 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.95 -35.06 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.635 -1.29 . . . . 0.0 107.942 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.15 -39.34 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.96 -39.14 84.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 177.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.34 -43.95 52.08 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.07 -40.85 90.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.217 -1.167 . . . . 0.0 108.815 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -60.46 -39.74 88.66 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.9 mt -67.45 -39.88 85.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.74 -31.03 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.425 -0.797 . . . . 0.0 110.548 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 15.86 7.62 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.128 -0.982 . . . . 0.0 110.049 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 47.78 39.33 10.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.934 -1.104 . . . . 0.0 110.328 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.0 19.99 9.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.436 -0.79 . . . . 0.0 110.69 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.28 114.41 5.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.548 -1.345 . . . . 0.0 108.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.05 -42.66 94.04 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 95.9 m-20 -70.01 -39.97 75.53 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.564 -1.335 . . . . 0.0 110.64 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.87 -38.83 76.54 Favored 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.017 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.59 -49.92 71.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 110.04 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.47 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.4 mtm180 -60.04 -43.9 95.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.229 -0.919 . . . . 0.0 110.474 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.43 -37.48 87.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.945 -1.097 . . . . 0.0 108.93 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.426 ' O ' ' OG1' ' B' ' 66' ' ' THR . 66.9 t90 -64.11 -47.15 81.11 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.487 -0.758 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.31 -48.27 65.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 110.539 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.11 -47.08 87.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.977 . . . . 0.0 109.905 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 38.4 t0 -69.59 -29.57 67.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.452 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 49.9 m -78.78 -35.27 44.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 111.094 -178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.35 -29.18 2.03 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.684 -1.26 . . . . 0.0 111.952 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.15 14.77 21.7 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.93 153.8 1.68 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.099 -1.236 . . . . 0.0 109.447 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -90.64 172.4 8.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.992 -1.068 . . . . 0.0 110.146 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.43 75.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.566 -0.709 . . . . 0.0 110.362 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.21 -40.36 71.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.762 -1.211 . . . . 0.0 109.765 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.64 -38.41 83.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.446 -0.784 . . . . 0.0 110.45 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.0 p -66.35 -38.61 88.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.176 -0.952 . . . . 0.0 110.233 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -60.02 -37.09 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.832 -1.167 . . . . 0.0 109.508 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.0 -38.8 83.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.7 -1.25 . . . . 0.0 110.414 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.35 -39.97 81.66 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.726 -1.234 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.1 -60.77 3.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.821 -1.174 . . . . 0.0 110.196 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.03 82.89 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.61 -49.16 56.63 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.128 -1.219 . . . . 0.0 109.97 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.93 -39.98 75.81 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.896 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -61.8 -40.0 93.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.3 -0.875 . . . . 0.0 109.929 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.11 -39.03 79.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.149 -0.969 . . . . 0.0 110.364 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.8 t90 -60.73 -44.55 96.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.389 -1.444 . . . . 0.0 108.535 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' B' ' 89' ' ' LEU . 56.8 m -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.48 -0.762 . . . . 0.0 109.888 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.68 -32.76 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.267 -0.895 . . . . 0.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.13 -33.3 14.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.243 -0.91 . . . . 0.0 111.371 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.2 m-85 -111.72 0.03 16.14 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.256 -0.902 . . . . 0.0 112.58 -177.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 85' ' ' CYS . 10.6 tp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 120.726 -1.233 . . . . 0.0 109.292 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m 46.41 24.19 0.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.9 p -59.94 139.96 57.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.103 -0.998 . . . . 0.0 109.314 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.7 p -79.98 170.05 17.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.869 . . . . 0.0 109.577 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -62.09 -18.98 62.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 0.0 110.201 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.53 -38.63 85.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.928 -1.108 . . . . 0.0 109.75 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.509 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 71.0 t60 -59.39 -51.02 71.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.097 -1.002 . . . . 0.0 110.847 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -69.9 -31.98 70.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 109.883 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -70.43 -39.94 74.09 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.453 -0.779 . . . . 0.0 110.135 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -43.32 84.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.198 -0.939 . . . . 0.0 110.504 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.0 14.63 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.914 -1.116 . . . . 0.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 -11.09 12.02 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.538 -0.726 . . . . 0.0 110.76 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.81 152.45 27.01 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 120.821 -1.175 . . . . 0.0 109.282 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -41.98 161.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.917 1.745 . . . . 0.0 112.087 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.88 -20.62 22.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.79 -140.53 15.77 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -105.15 28.34 7.36 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.511 -0.993 . . . . 0.0 110.22 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.81 148.52 82.68 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 120.852 -1.155 . . . . 0.0 108.488 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.9 156.48 61.98 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.408 2.072 . . . . 0.0 112.473 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.4 p -54.26 -43.95 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.633 -0.667 . . . . 0.0 110.39 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.97 -4.57 0.45 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 20' ' ' VAL . 52.5 m -81.86 -19.71 40.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.707 -1.466 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.94 136.75 57.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.86 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 136.03 56.65 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.869 -0.733 . . . . 0.0 109.649 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.64 -16.26 58.93 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.14 117.57 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.188 -1.184 . . . . 0.0 108.208 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.59 173.18 36.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.28 -40.01 73.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -1.053 . . . . 0.0 110.664 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.03 -41.62 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.41 -38.25 84.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.66 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.84 93.43 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -65.84 -39.92 91.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.299 -1.118 . . . . 0.0 110.951 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -66.96 -42.51 85.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.656 -1.278 . . . . 0.0 109.532 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.64 -39.9 95.51 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.033 -1.042 . . . . 0.0 109.276 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.0 -40.2 88.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.665 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.11 -19.29 65.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 109.008 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.17 2.46 56.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.437 -0.789 . . . . 0.0 110.519 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.62 5.91 44.59 Favored Glycine 0 N--CA 1.503 3.145 0 O-C-N 121.052 -1.03 . . . . 0.0 111.924 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.68 73.91 1.11 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.731 -1.452 . . . . 0.0 109.018 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 30.2 p-10 -81.81 -12.52 58.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 109.898 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.3 151.39 50.86 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.19 90.58 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.413 -0.804 . . . . 0.0 112.022 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -58.37 -19.28 34.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.545 -1.347 . . . . 0.0 110.69 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -79.18 -32.95 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.676 -1.265 . . . . 0.0 107.744 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.86 -38.76 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.6 tp -59.92 -37.06 78.37 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.88 95.44 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.14 -45.29 93.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.035 -1.273 . . . . 0.0 109.556 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 108.688 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.2 -39.14 82.51 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.8 -0.76 . . . . 0.0 108.99 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.96 -25.73 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 110.503 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.09 16.6 6.91 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.443 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.3 33.4 7.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.985 -1.072 . . . . 0.0 109.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HZ1' ' CB ' ' A' ' 54' ' ' LYS . 7.8 mtmp? 60.69 20.79 10.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.403 -0.811 . . . . 0.0 110.453 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -66.37 114.76 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.66 -1.275 . . . . 0.0 107.878 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.46 -41.24 96.63 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.3 -0.875 . . . . 0.0 112.405 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.22 -40.03 78.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.555 -1.341 . . . . 0.0 109.784 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.98 -40.05 75.57 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.149 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -64.96 -50.04 67.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.193 -0.942 . . . . 0.0 109.673 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -60.03 -46.32 89.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.81 -36.23 82.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.832 -1.168 . . . . 0.0 108.836 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.467 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.09 -46.61 83.47 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.389 -0.819 . . . . 0.0 111.102 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -70.13 -50.69 38.05 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.25 -47.04 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.036 -1.04 . . . . 0.0 110.019 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.79 65.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 0.0 109.728 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 49.0 m -81.05 -33.44 33.48 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.189 -0.945 . . . . 0.0 111.622 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 29.9 p -131.47 -28.4 1.86 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.414 -1.429 . . . . 0.0 112.059 -177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.86 14.31 21.45 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -51.6 153.25 2.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.302 . . . . 0.0 109.021 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -90.26 171.44 9.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 110.273 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.81 73.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.714 -0.616 . . . . 0.0 110.168 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.32 -41.57 73.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.772 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 110.535 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.0 m -64.71 -39.98 94.57 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.108 -0.995 . . . . 0.0 110.692 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.37 -37.32 80.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.762 -1.211 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -67.46 -39.95 85.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.636 -1.29 . . . . 0.0 111.032 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.86 -39.96 79.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.888 -1.133 . . . . 0.0 110.855 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.44 -60.59 3.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.537 -1.352 . . . . 0.0 110.098 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.24 -30.66 71.36 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.3 t -69.02 -51.32 40.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -1.205 . . . . 0.0 109.796 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.17 -40.44 71.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.01 -1.056 . . . . 0.0 109.371 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.34 -40.68 95.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.798 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 93.6 mt-10 -69.98 -37.75 75.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 110.515 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.599 -1.313 . . . . 0.0 109.185 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.0 m -60.95 -40.02 91.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.175 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.32 -28.11 67.87 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.707 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.66 12.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.25 -0.906 . . . . 0.0 111.295 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.8 m-85 -111.55 -9.66 14.17 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.506 2.359 0 O-C-N 120.247 -1.533 . . . . 0.0 109.348 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m 46.24 24.35 0.27 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.319 -0.863 . . . . 0.0 109.531 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -60.01 139.96 57.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.6 p -80.05 170.01 17.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.858 . . . . 0.0 109.553 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -61.94 -18.98 62.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.726 -0.609 . . . . 0.0 110.22 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.53 -38.47 84.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.816 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.508 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 71.0 t60 -59.65 -50.92 72.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.149 -0.97 . . . . 0.0 110.823 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -70.04 -31.81 69.63 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.919 -1.113 . . . . 0.0 109.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.56 -39.88 73.68 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.594 -0.691 . . . . 0.0 110.016 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.69 -43.34 84.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -0.944 . . . . 0.0 110.498 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.02 14.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.949 -1.095 . . . . 0.0 109.394 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.45 -11.15 11.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.576 -0.703 . . . . 0.0 110.723 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.73 152.48 27.2 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 120.889 -1.132 . . . . 0.0 109.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.06 161.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.913 1.742 . . . . 0.0 112.116 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.96 -20.42 22.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.235 -0.916 . . . . 0.0 109.403 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.47 -140.62 13.91 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.04 28.51 7.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.456 -1.026 . . . . 0.0 110.23 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -61.09 148.57 84.26 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 120.875 -1.141 . . . . 0.0 108.458 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.0 156.46 62.49 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.36 2.04 . . . . 0.0 112.53 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.4 p -54.35 -43.72 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.586 -0.697 . . . . 0.0 110.409 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.18 -4.33 0.47 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 20' ' ' VAL . 52.5 m -81.99 -19.92 39.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.717 -1.461 . . . . 0.0 109.248 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.84 136.72 57.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.175 -0.953 . . . . 0.0 109.781 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.57 136.11 56.68 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.661 0.743 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.56 -16.31 58.96 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -99.09 117.52 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.129 -1.218 . . . . 0.0 108.221 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.16 36.9 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.4 -39.99 73.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -1.069 . . . . 0.0 110.674 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.98 -41.64 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.864 -1.147 . . . . 0.0 109.815 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.3 -38.38 84.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.324 -0.86 . . . . 0.0 109.625 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -37.95 93.51 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.67 -40.04 91.96 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 110.923 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -66.82 -42.49 85.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.673 -1.267 . . . . 0.0 109.619 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.75 -39.79 95.13 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.306 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.98 -40.26 88.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.756 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.03 -19.31 65.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.272 -0.893 . . . . 0.0 108.998 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.22 2.71 56.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.519 -0.738 . . . . 0.0 110.528 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.35 5.93 45.36 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 121.027 -1.046 . . . . 0.0 111.922 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.82 73.92 1.1 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.699 -1.471 . . . . 0.0 109.0 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 30.2 p-10 -81.91 -12.36 58.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.982 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.45 151.35 51.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.07 90.09 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.425 -0.797 . . . . 0.0 112.008 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -58.37 -19.4 35.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.447 -1.408 . . . . 0.0 110.638 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -79.13 -32.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.628 -1.295 . . . . 0.0 107.775 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.01 -38.66 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.92 -37.35 79.21 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.36 -41.11 94.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.07 -45.27 93.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.136 -1.214 . . . . 0.0 109.412 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.02 -39.94 87.58 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.856 . . . . 0.0 108.752 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.89 -25.58 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.221 -0.924 . . . . 0.0 110.627 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.26 16.8 6.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.953 -1.092 . . . . 0.0 109.469 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.0 33.57 6.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.025 . . . . 0.0 110.004 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.457 ' HZ1' ' CB ' ' B' ' 54' ' ' LYS . 7.8 mtmp? 60.73 20.45 10.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.464 -0.773 . . . . 0.0 110.461 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -66.13 114.83 5.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.708 -1.245 . . . . 0.0 107.805 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.45 -41.37 96.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.266 -0.896 . . . . 0.0 112.462 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.09 -39.99 78.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.516 -1.365 . . . . 0.0 109.803 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.05 -40.0 75.36 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.173 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.0 -50.03 67.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.666 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -60.07 -46.49 89.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.417 -0.802 . . . . 0.0 110.777 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.74 -36.06 81.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.888 -1.133 . . . . 0.0 108.768 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.455 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -64.3 -46.45 83.53 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.491 -0.756 . . . . 0.0 111.081 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -70.15 -50.73 37.47 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.049 -1.032 . . . . 0.0 110.308 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.22 -47.09 87.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.995 . . . . 0.0 110.034 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.81 65.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.855 . . . . 0.0 109.772 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 48.8 m -81.01 -33.39 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 111.732 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.451 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 29.7 p -131.34 -28.66 1.87 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.463 -1.398 . . . . 0.0 112.078 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.05 14.45 20.74 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.451 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -51.58 153.37 2.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.004 -1.292 . . . . 0.0 108.993 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -90.33 171.36 9.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.052 -1.03 . . . . 0.0 110.256 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.6 73.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.705 -0.622 . . . . 0.0 110.134 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -70.39 -41.63 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.876 -1.14 . . . . 0.0 109.768 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -40.02 84.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.264 -0.898 . . . . 0.0 110.468 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -64.54 -40.02 94.82 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.065 -1.022 . . . . 0.0 110.667 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.61 -37.11 80.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.777 -1.202 . . . . 0.0 110.151 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.62 -39.98 84.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.564 -1.335 . . . . 0.0 111.027 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.79 -40.03 79.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.833 -1.167 . . . . 0.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.54 -60.44 3.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.602 -1.312 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.35 -30.49 71.39 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.14 -51.19 40.8 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.285 -1.126 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.25 -40.2 71.15 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.436 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.54 -40.62 95.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 93.6 mt-10 -70.03 -37.85 75.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 110.47 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.6 t90 -62.74 -43.62 98.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.652 -1.28 . . . . 0.0 109.211 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.93 -40.05 91.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.256 -0.902 . . . . 0.0 110.176 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.26 -28.08 67.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.97 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.19 -35.75 12.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.182 -0.949 . . . . 0.0 111.174 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.37 -9.82 14.24 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 N--CA 1.505 2.32 0 O-C-N 120.243 -1.536 . . . . 0.0 109.457 -179.715 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.4 p -92.05 -157.05 0.49 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.131 -0.981 . . . . 0.0 109.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -68.97 160.31 31.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.25 -0.906 . . . . 0.0 109.055 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.588 ' HG ' ' N ' ' A' ' 5' ' ' GLN . 21.2 t -58.62 159.54 6.47 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.209 -0.932 . . . . 0.0 108.896 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' N ' ' HG ' ' A' ' 4' ' ' SER . 95.8 mt-30 -65.02 -21.78 66.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.621 -0.674 . . . . 0.0 110.475 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.22 -37.58 87.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.111 -0.993 . . . . 0.0 109.908 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.505 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 74.0 t60 -59.33 -49.61 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.953 -1.092 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' HG2' HH11 ' A' ' 8' ' ' ARG . 30.1 mtt-85 -69.85 -32.1 70.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.02 -39.93 72.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.409 -0.807 . . . . 0.0 110.173 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.63 -42.69 91.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.349 -0.845 . . . . 0.0 110.201 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.5 m -82.61 15.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.96 -8.88 12.48 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.588 -0.695 . . . . 0.0 110.39 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.09 154.09 28.22 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 120.814 -1.179 . . . . 0.0 109.716 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.92 162.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.097 1.865 . . . . 0.0 112.121 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.1 ptp -94.67 -21.84 18.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -139.78 34.43 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.51 30.33 5.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -1.059 . . . . 0.0 109.967 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.68 148.24 67.96 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 120.965 -1.084 . . . . 0.0 108.717 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.28 155.25 66.56 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.489 2.126 . . . . 0.0 112.579 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.4 p -52.8 -43.23 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.632 -0.667 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.89 -2.97 2.93 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 23' ' ' LEU . 33.5 p -82.11 -26.25 33.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.921 -1.341 . . . . 0.0 108.856 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 22' ' ' SER . 92.2 mt -61.03 138.88 58.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.645 0.736 . . . . 0.0 109.236 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -64.31 136.6 57.31 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.784 0.802 . . . . 0.0 110.136 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.98 51.38 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 26' ' ' ILE . 32.2 mm -99.02 119.98 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.127 -1.22 . . . . 0.0 108.393 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.69 176.26 37.88 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.676 -1.369 . . . . 0.0 109.676 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.49 -39.94 81.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.487 -1.008 . . . . 0.0 110.481 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.843 -1.161 . . . . 0.0 109.697 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.54 -36.62 84.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.621 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -39.92 96.93 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -62.97 -39.88 96.01 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.318 -1.107 . . . . 0.0 110.587 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -66.99 -47.58 71.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.763 -1.21 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.41 -39.92 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.109 -0.994 . . . . 0.0 108.483 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.07 -40.71 90.47 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.501 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.68 -20.98 65.36 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 0.0 108.877 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -89.81 3.06 54.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.288 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.72 5.28 45.11 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.985 -1.072 . . . . 0.0 111.965 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.87 75.61 1.2 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.715 -1.462 . . . . 0.0 109.157 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -83.5 -10.57 58.25 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 45.6 mmtm -130.89 152.34 50.33 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.125 -0.985 . . . . 0.0 109.489 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.63 93.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 111.271 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 24.7 p90 -58.64 -19.92 43.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.679 -1.263 . . . . 0.0 111.269 -177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -79.86 -33.72 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.462 -1.399 . . . . 0.0 107.919 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.99 -37.36 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.99 -37.91 81.02 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.5 -42.32 95.86 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.43 -44.97 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -1.232 . . . . 0.0 108.885 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.03 -38.62 82.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.0 -21.16 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.504 -0.747 . . . . 0.0 111.362 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.67 14.97 13.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.883 -1.136 . . . . 0.0 111.058 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.487 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.3 mttm 49.82 39.43 18.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.654 -1.278 . . . . 0.0 110.201 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.95 19.58 8.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.23 -0.919 . . . . 0.0 109.712 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -70.19 106.85 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.423 -1.423 . . . . 0.0 108.884 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.95 -39.98 95.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.504 -0.747 . . . . 0.0 112.151 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.1 m-20 -68.06 -39.94 82.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.444 -1.41 . . . . 0.0 109.741 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.02 -39.63 75.7 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.178 -1.009 . . . . 0.0 108.806 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.29 -49.94 67.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.0 mtm180 -60.19 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.117 -0.989 . . . . 0.0 110.918 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -64.58 -35.15 80.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.5 -1.375 . . . . 0.0 108.923 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.457 ' O ' ' OG1' ' A' ' 66' ' ' THR . 62.1 t90 -64.01 -47.83 78.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.13 -0.981 . . . . 0.0 110.95 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.44 -51.04 48.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.034 -1.041 . . . . 0.0 110.454 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -46.63 88.94 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.626 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.49 -29.06 66.63 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.451 -0.781 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 41.2 m -80.32 -32.4 37.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 111.239 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.63 -30.75 1.24 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.59 -1.319 . . . . 0.0 111.929 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.49 15.32 13.95 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.17 152.62 2.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.08 -1.247 . . . . 0.0 109.491 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -90.26 171.39 9.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.158 -0.964 . . . . 0.0 110.055 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -34.53 73.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.612 -0.68 . . . . 0.0 110.497 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.57 -40.92 73.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.874 -1.141 . . . . 0.0 109.908 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.39 -38.41 84.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.337 -0.852 . . . . 0.0 110.909 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.8 m -68.13 -37.71 81.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.18 -0.95 . . . . 0.0 110.282 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.99 -38.34 82.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.656 -1.277 . . . . 0.0 109.779 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.93 -39.34 79.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.656 -1.278 . . . . 0.0 111.085 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 80.8 m -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.553 -1.342 . . . . 0.0 110.705 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.86 -59.78 4.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.548 -1.345 . . . . 0.0 110.253 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.75 -31.24 70.98 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.0 t -69.48 -48.76 59.69 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.221 -1.164 . . . . 0.0 110.092 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.0 -40.05 75.52 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.634 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -62.43 -40.11 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.289 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -69.94 -39.07 76.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.983 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -63.0 -46.24 88.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.357 -1.464 . . . . 0.0 109.293 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.5 m -60.98 -40.27 92.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 0.0 110.253 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.28 -27.29 65.7 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.058 -1.027 . . . . 0.0 109.138 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.9 -35.49 12.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.214 -0.929 . . . . 0.0 111.14 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -111.51 -7.26 14.33 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.23 -0.919 . . . . 0.0 113.038 -176.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.502 2.14 0 O-C-N 120.254 -1.529 . . . . 0.0 109.499 -179.584 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 78.6 p -92.1 -156.86 0.48 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.177 -0.952 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -69.11 160.36 31.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.216 -0.927 . . . . 0.0 109.052 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.591 ' HG ' ' N ' ' B' ' 5' ' ' GLN . 22.1 t -58.65 159.6 6.46 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.21 -0.932 . . . . 0.0 108.838 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.591 ' N ' ' HG ' ' B' ' 4' ' ' SER . 95.8 mt-30 -65.1 -21.69 66.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.603 -0.685 . . . . 0.0 110.45 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.3 -37.54 87.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.086 -1.009 . . . . 0.0 109.908 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.509 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.9 t60 -59.35 -49.53 77.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 110.421 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' B' ' 8' ' ' ARG . 30.4 mtt-85 -69.95 -31.97 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.219 -0.926 . . . . 0.0 109.827 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.06 -39.94 71.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.378 -0.826 . . . . 0.0 110.158 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.75 -42.69 90.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 110.153 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.42 15.54 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.766 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.82 -8.76 12.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.561 -0.712 . . . . 0.0 110.325 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.17 154.03 28.01 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.88 -1.137 . . . . 0.0 109.744 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.93 162.32 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.119 1.879 . . . . 0.0 112.186 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptp -94.67 -21.82 18.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.152 -0.967 . . . . 0.0 110.321 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.7 -139.76 35.2 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.74 30.67 5.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.381 -1.07 . . . . 0.0 109.847 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.81 148.19 69.51 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 120.967 -1.083 . . . . 0.0 108.782 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.21 155.39 65.5 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.451 2.101 . . . . 0.0 112.634 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.4 p -52.93 -43.29 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.663 -0.648 . . . . 0.0 110.323 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.82 -3.0 2.89 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' B' ' 23' ' ' LEU . 33.7 p -81.93 -26.38 34.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.918 -1.342 . . . . 0.0 108.961 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.448 ' N ' ' HG ' ' B' ' 22' ' ' SER . 92.3 mt -60.93 138.98 58.13 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.611 0.72 . . . . 0.0 109.213 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.45 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -64.39 136.67 57.34 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.724 0.773 . . . . 0.0 110.107 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.55 -19.85 51.96 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.23 119.98 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.048 -1.266 . . . . 0.0 108.376 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.63 176.31 38.03 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 58.1 mp0 -58.37 -40.02 81.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.438 -1.037 . . . . 0.0 110.601 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.81 -44.35 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.948 -1.095 . . . . 0.0 109.752 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.5 -36.64 84.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 109.623 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.0 96.93 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.89 -39.98 96.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.202 -1.175 . . . . 0.0 110.54 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.03 -47.54 71.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.652 -1.28 . . . . 0.0 109.745 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -40.02 89.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.117 -0.99 . . . . 0.0 108.415 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.04 -40.63 90.07 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.538 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 108.818 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 55.4 mtt-85 -89.8 2.8 54.48 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.766 . . . . 0.0 110.18 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 5.15 44.54 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.071 -1.018 . . . . 0.0 111.989 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.68 75.46 1.21 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.777 -1.425 . . . . 0.0 109.255 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.487 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 36.2 p-10 -83.41 -10.91 58.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.349 -0.844 . . . . 0.0 110.799 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 45.7 mmtm -130.61 152.45 49.97 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.66 93.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 111.271 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 23.8 p90 -58.64 -19.81 42.24 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.632 -1.293 . . . . 0.0 111.288 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 t -79.83 -33.75 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.395 -1.441 . . . . 0.0 107.997 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -75.99 -37.24 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 19.9 tp -60.06 -37.83 81.03 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.19 95.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.71 -44.81 96.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.025 -1.279 . . . . 0.0 108.871 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.08 -38.34 82.25 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.17 -21.22 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.456 -0.777 . . . . 0.0 111.302 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -91.64 14.84 13.97 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.785 -1.197 . . . . 0.0 110.989 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 49.9 39.38 18.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.619 -1.3 . . . . 0.0 110.313 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.84 19.9 8.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 109.819 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -70.41 106.52 3.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.626 -1.296 . . . . 0.0 108.91 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.65 -40.01 95.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.1 m-20 -68.17 -39.96 82.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.585 -1.322 . . . . 0.0 109.724 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.97 -39.7 75.81 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.777 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.14 -49.92 68.0 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.766 . . . . 0.0 109.721 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.0 mtm180 -60.45 -47.83 84.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.184 -0.948 . . . . 0.0 110.99 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -64.79 -35.13 80.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.537 -1.352 . . . . 0.0 108.836 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.8 t90 -63.92 -47.96 78.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.38 -50.96 49.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.035 -1.041 . . . . 0.0 110.47 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.09 -46.69 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.331 -0.855 . . . . 0.0 109.661 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 -29.08 66.65 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.535 -0.728 . . . . 0.0 109.667 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 40.0 m -80.31 -32.28 38.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.85 . . . . 0.0 111.287 -178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.8 -30.61 1.23 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.57 -1.332 . . . . 0.0 111.926 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.42 15.13 14.41 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.08 152.51 2.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.181 -1.187 . . . . 0.0 109.587 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.14 171.45 9.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.133 -0.979 . . . . 0.0 110.169 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.75 73.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.536 -0.727 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.36 -40.77 73.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.832 -1.167 . . . . 0.0 110.023 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.47 -38.74 84.89 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.858 . . . . 0.0 110.748 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -67.85 -37.93 82.48 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 110.318 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.93 -38.42 82.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.69 -1.256 . . . . 0.0 109.737 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -68.75 -39.27 80.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.526 -1.359 . . . . 0.0 111.189 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 80.8 m -69.25 -40.07 78.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.54 -1.35 . . . . 0.0 110.657 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.69 -59.95 4.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.523 -1.361 . . . . 0.0 110.303 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.6 -31.31 70.6 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.44 -48.85 59.64 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.228 -1.16 . . . . 0.0 110.031 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.675 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.987 -1.07 . . . . 0.0 110.247 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -38.93 76.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 0.0 110.958 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -63.06 -46.3 88.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.464 -1.397 . . . . 0.0 109.266 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' B' ' 89' ' ' LEU . 65.1 m -61.12 -40.11 92.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.34 -27.36 65.86 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.77 -35.62 12.68 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.379 -0.826 . . . . 0.0 111.143 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.3 m-85 -111.64 -6.92 14.31 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.224 -0.923 . . . . 0.0 113.175 -176.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' B' ' 85' ' ' CYS . 15.7 tp . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.255 -1.528 . . . . 0.0 109.435 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.7 m -102.46 -20.26 14.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.279 -0.888 . . . . 0.0 110.367 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.3 p -71.78 154.76 41.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 109.976 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -74.88 165.73 24.77 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.95 -23.42 66.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.624 -0.673 . . . . 0.0 110.546 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.0 -37.24 81.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.84 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.12 -50.0 75.73 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.068 -1.02 . . . . 0.0 110.349 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.02 -33.25 71.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.043 -1.036 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.6 -36.75 68.18 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.08 -41.47 86.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.193 -0.942 . . . . 0.0 110.136 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.62 17.06 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.19 -0.944 . . . . 0.0 109.91 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -6.07 10.02 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.556 -0.715 . . . . 0.0 110.226 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -152.69 151.27 26.45 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 120.89 -1.131 . . . . 0.0 109.638 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -43.3 159.03 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.905 1.737 . . . . 0.0 111.887 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.0 ptp -93.67 -27.1 16.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.059 -1.025 . . . . 0.0 109.401 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.93 -136.03 45.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.19 30.04 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.492 -1.005 . . . . 0.0 110.624 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.05 148.47 77.54 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 154.42 73.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.206 1.938 . . . . 0.0 112.67 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 22' ' ' SER . 12.0 p -53.34 -45.8 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.716 -0.615 . . . . 0.0 110.797 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' N ' ' CG1' ' A' ' 20' ' ' VAL . . . -58.96 -3.18 1.55 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.7 t -81.91 -21.12 37.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.947 -1.325 . . . . 0.0 108.803 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.29 139.98 58.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.473 -0.767 . . . . 0.0 109.247 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 134.82 56.03 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.355 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.96 -20.01 50.83 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.34 117.94 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.028 -1.278 . . . . 0.0 108.238 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.16 175.53 36.48 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 120.638 -1.289 . . . . 0.0 110.138 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.04 -40.07 79.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.534 -0.98 . . . . 0.0 110.704 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.44 -43.52 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.814 -1.178 . . . . 0.0 109.598 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.19 -35.81 81.42 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 109.596 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.94 96.26 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.54 -38.82 90.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.257 -1.143 . . . . 0.0 110.777 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.16 -48.04 69.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.737 -1.227 . . . . 0.0 109.791 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -38.37 85.47 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -41.74 92.62 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.614 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -67.61 -18.97 65.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 0.0 108.772 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.04 57.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.646 -0.659 . . . . 0.0 110.112 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.97 4.09 45.16 Favored Glycine 0 N--CA 1.505 3.275 0 O-C-N 121.034 -1.041 . . . . 0.0 111.973 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -104.01 75.48 1.28 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.885 -1.362 . . . . 0.0 108.925 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -82.64 -11.51 58.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -130.15 151.88 50.19 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.048 -1.032 . . . . 0.0 109.657 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.0 95.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.733 -0.604 . . . . 0.0 111.353 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -59.45 -19.25 46.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.151 . . . . 0.0 111.122 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.36 -33.51 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.491 -1.38 . . . . 0.0 107.671 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.49 -37.35 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.6 tp -60.02 -38.49 82.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.33 -40.13 95.6 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.07 -42.96 95.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -1.206 . . . . 0.0 108.395 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.97 -39.19 79.6 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.13 -27.93 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.391 -0.818 . . . . 0.0 110.355 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.47 12.91 11.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.154 -0.966 . . . . 0.0 110.348 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.3 39.68 9.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.771 -1.205 . . . . 0.0 109.756 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.03 20.96 10.09 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.798 -0.563 . . . . 0.0 110.69 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.75 108.48 4.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.601 -1.312 . . . . 0.0 108.995 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.65 -40.09 95.99 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.26 -39.2 78.56 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.599 -1.313 . . . . 0.0 110.939 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.48 -37.57 77.33 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.059 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.48 -46.01 88.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 0.0 109.562 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.94 -48.81 80.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 111.105 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.33 -39.96 96.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.687 -1.258 . . . . 0.0 108.847 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.461 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.9 t90 -64.06 -48.24 77.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.161 -0.962 . . . . 0.0 111.277 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.48 -44.51 82.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.057 -1.027 . . . . 0.0 110.266 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.03 -48.93 79.68 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -69.49 -28.86 66.42 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 65.1 m -76.91 -38.6 53.17 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.007 -1.058 . . . . 0.0 111.493 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 22.8 p -130.27 -29.65 2.01 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.506 -1.371 . . . . 0.0 112.35 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.83 14.11 27.85 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.551 -1.819 . . . . 0.0 108.551 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.434 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -50.85 155.5 1.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.24 -1.153 . . . . 0.0 109.243 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 9.6 t-20 -87.95 168.94 12.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.028 -1.045 . . . . 0.0 110.519 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.632 ' H ' ' ND2' ' A' ' 70' ' ' ASN . . . -61.24 -33.58 73.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.708 -0.62 . . . . 0.0 110.491 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -71.31 -41.28 70.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.018 -1.051 . . . . 0.0 109.808 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.49 -35.15 79.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.405 -0.809 . . . . 0.0 110.253 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -68.4 -38.57 81.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.414 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -60.35 -37.73 81.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.847 -1.158 . . . . 0.0 109.615 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.41 -38.72 81.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.685 -1.259 . . . . 0.0 110.786 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.23 -40.0 89.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.796 -1.19 . . . . 0.0 110.156 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.39 -58.9 6.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.716 -1.24 . . . . 0.0 109.847 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.32 85.0 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.81 -50.78 54.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.83 -1.394 . . . . 0.0 109.908 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.95 -39.81 75.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.357 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.95 -40.03 96.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.109 -0.994 . . . . 0.0 110.766 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.25 -39.39 78.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.92 -1.112 . . . . 0.0 110.584 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.0 t90 -60.35 -44.26 95.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.702 -1.249 . . . . 0.0 108.699 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 m -60.04 -40.5 89.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.364 -0.835 . . . . 0.0 109.775 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.27 -31.86 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -0.881 . . . . 0.0 110.052 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.82 -36.36 18.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.129 -0.982 . . . . 0.0 110.363 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.1 m-85 -107.2 -87.84 0.47 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.468 -0.77 . . . . 0.0 110.37 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.119 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 75.0 m -102.47 -20.28 14.58 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.235 -0.915 . . . . 0.0 110.32 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -71.9 155.06 40.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 110.022 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.3 t -75.07 165.62 24.95 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.87 -23.47 66.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.605 -0.684 . . . . 0.0 110.543 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.01 -37.23 81.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.042 -1.036 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -59.16 -50.04 75.58 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.11 -0.993 . . . . 0.0 110.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.04 -33.17 71.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 110.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.59 -36.92 68.25 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -66.97 -41.46 86.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -0.916 . . . . 0.0 110.136 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.69 17.2 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 -6.13 9.98 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.495 -0.753 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -152.68 151.29 26.5 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 120.864 -1.147 . . . . 0.0 109.647 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -43.27 158.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.846 1.697 . . . . 0.0 111.878 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.2 ptp -93.46 -27.01 16.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.043 -1.036 . . . . 0.0 109.475 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.69 -136.08 45.01 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.12 30.04 6.55 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.481 -1.011 . . . . 0.0 110.623 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.0 148.5 77.1 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.862 -1.149 . . . . 0.0 108.06 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.15 154.44 73.46 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.244 1.963 . . . . 0.0 112.682 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' B' ' 22' ' ' SER . 12.0 p -53.24 -45.79 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.75 -0.594 . . . . 0.0 110.773 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . 0.437 ' N ' ' CG1' ' B' ' 20' ' ' VAL . . . -59.01 -3.09 1.52 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 20' ' ' VAL . 23.7 t -82.03 -21.14 37.12 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.889 -1.359 . . . . 0.0 108.818 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.36 140.02 58.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.416 -0.802 . . . . 0.0 109.199 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.73 134.7 55.81 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.41 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.97 50.94 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 109.989 -1.245 . . . . 0.0 109.989 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.428 HG22 HD11 ' B' ' 26' ' ' ILE . 33.8 mm -98.36 117.83 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.045 -1.268 . . . . 0.0 108.334 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 175.58 36.41 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 120.714 -1.241 . . . . 0.0 110.194 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -58.1 -39.95 79.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.495 -1.003 . . . . 0.0 110.677 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.62 -43.47 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.24 -35.76 81.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.632 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.97 96.24 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.51 -38.97 91.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.185 -1.185 . . . . 0.0 110.773 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.08 -47.91 69.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.712 -1.242 . . . . 0.0 109.759 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.9 mt -60.99 -38.47 86.11 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -41.6 92.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.621 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.69 -18.97 65.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 108.794 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.01 57.29 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.096 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.25 45.34 Favored Glycine 0 N--CA 1.505 3.249 0 O-C-N 121.032 -1.043 . . . . 0.0 111.927 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -104.21 75.59 1.27 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.934 -1.333 . . . . 0.0 108.96 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -82.75 -11.4 58.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.305 -0.872 . . . . 0.0 110.661 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -130.22 152.02 50.1 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.95 95.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.704 -0.622 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -59.47 -19.35 47.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.792 -1.193 . . . . 0.0 111.118 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -79.18 -33.51 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.507 -1.371 . . . . 0.0 107.744 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.8 t -77.51 -37.43 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 tp -60.03 -38.59 83.18 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.17 -40.17 95.4 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.02 -42.99 95.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -1.187 . . . . 0.0 108.426 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.91 -39.26 79.76 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.11 -27.78 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.321 -0.862 . . . . 0.0 110.388 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.59 12.99 11.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.092 -1.005 . . . . 0.0 110.324 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.13 39.71 8.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.765 -1.209 . . . . 0.0 109.802 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 59.97 20.91 9.96 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.799 -0.563 . . . . 0.0 110.663 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.57 108.42 4.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.501 -1.374 . . . . 0.0 108.999 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.73 -39.97 95.61 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.3 -39.15 78.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.575 -1.328 . . . . 0.0 110.957 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.53 -37.63 77.2 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.063 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.4 -45.97 88.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.02 -48.98 79.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 111.121 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.792 -1.193 . . . . 0.0 108.882 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.464 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.9 t90 -64.14 -48.18 77.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 111.349 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.42 -44.62 82.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.264 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.07 -48.8 80.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.139 -0.976 . . . . 0.0 109.721 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -69.35 -29.42 67.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 64.3 m -76.44 -38.72 55.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 111.551 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.437 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 23.1 p -130.23 -29.65 2.02 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.505 -1.372 . . . . 0.0 112.293 -177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.84 14.17 27.69 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.437 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -50.96 155.48 1.2 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -1.167 . . . . 0.0 109.22 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.631 ' ND2' ' H ' ' B' ' 71' ' ' ALA . 9.5 t-20 -87.73 169.08 12.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.993 -1.067 . . . . 0.0 110.539 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.631 ' H ' ' ND2' ' B' ' 70' ' ' ASN . . . -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.752 -0.593 . . . . 0.0 110.574 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.39 -41.27 69.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.845 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.38 -35.18 79.69 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.362 -0.836 . . . . 0.0 110.342 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -68.42 -38.61 81.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 110.369 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -60.35 -37.64 81.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.829 -1.17 . . . . 0.0 109.612 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.51 -38.63 81.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.565 -1.334 . . . . 0.0 110.828 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -66.25 -39.99 89.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.862 -1.149 . . . . 0.0 110.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -58.39 -58.81 6.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.655 -1.278 . . . . 0.0 109.907 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -33.3 84.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.89 -50.69 54.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.348 . . . . 0.0 109.909 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.05 -39.72 75.52 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.378 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -63.15 -39.99 96.25 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 110.72 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.15 -39.35 78.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.989 -1.069 . . . . 0.0 110.603 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.1 t90 -60.47 -44.12 96.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.58 -1.325 . . . . 0.0 108.673 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 m -60.02 -40.63 89.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.3 -31.71 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -0.842 . . . . 0.0 110.102 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -36.69 18.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.127 -0.983 . . . . 0.0 110.371 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -107.12 -87.82 0.47 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 110.358 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.086 -1.009 . . . . 0.0 109.102 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.403 0.621 . . . . 0.0 109.462 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 p -80.02 166.22 21.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.649 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.5 p -70.92 150.67 45.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.286 -0.884 . . . . 0.0 109.405 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -79.08 162.74 25.66 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.302 -0.874 . . . . 0.0 109.171 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.25 -22.09 62.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.656 -0.653 . . . . 0.0 109.748 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.32 -37.1 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 109.8 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.22 -0.925 . . . . 0.0 110.869 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.66 -32.72 71.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.59 -39.83 73.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.364 -0.835 . . . . 0.0 111.067 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.0 -40.69 75.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.934 -1.104 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 m -83.62 11.72 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.056 -1.027 . . . . 0.0 110.711 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.27 -5.17 10.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.321 -0.862 . . . . 0.0 110.512 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.72 151.62 23.93 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 120.983 -1.073 . . . . 0.0 109.307 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -42.51 159.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 121.915 1.743 . . . . 0.0 111.824 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.8 ptp -92.67 -22.0 19.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.95 -138.05 39.21 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -106.86 31.37 5.36 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.575 -0.956 . . . . 0.0 110.201 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.0 148.66 76.72 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.036 -1.04 . . . . 0.0 108.936 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.39 77.36 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.324 2.016 . . . . 0.0 112.442 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -52.7 -39.36 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 110.645 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.09 -3.21 5.99 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 m -81.76 -24.47 36.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.804 -1.409 . . . . 0.0 109.253 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.03 139.97 58.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.271 -0.893 . . . . 0.0 109.733 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 137.44 58.05 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.643 0.735 . . . . 0.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -21.01 47.75 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.44 120.13 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.1 -1.235 . . . . 0.0 108.603 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.51 176.13 39.67 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.58 -39.94 85.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.545 -0.974 . . . . 0.0 110.459 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.67 -44.65 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.873 -1.142 . . . . 0.0 109.425 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.13 -36.77 82.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 109.671 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -36.98 91.97 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 36' ' ' GLU . 62.7 tttm -64.01 -40.01 95.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.558 -0.966 . . . . 0.0 110.146 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.01 -48.32 71.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.899 -1.126 . . . . 0.0 109.966 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.05 -38.5 86.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.015 . . . . 0.0 108.714 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.93 -40.05 87.6 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.625 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 98.9 mt-10 -68.8 -19.12 64.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 108.857 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.49 0.6 56.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.606 -0.684 . . . . 0.0 110.363 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.95 3.96 42.11 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 121.059 -1.026 . . . . 0.0 111.891 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.45 76.47 1.31 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.893 -1.357 . . . . 0.0 109.035 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 37.7 p-10 -80.99 -10.09 59.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.861 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.98 158.79 43.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.897 -1.127 . . . . 0.0 110.719 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.58 92.24 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -59.93 -19.74 53.57 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.43 -1.419 . . . . 0.0 111.195 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.08 -34.83 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.51 -1.369 . . . . 0.0 107.541 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.86 -36.43 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -60.09 -38.23 82.32 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.33 -41.93 95.32 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.05 -41.69 92.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.007 -1.29 . . . . 0.0 108.943 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.46 -40.19 90.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 108.883 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.21 -38.59 82.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.21 -29.94 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.28 12.36 8.28 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.051 -1.031 . . . . 0.0 110.266 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 48.22 38.46 10.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.8 -1.188 . . . . 0.0 110.039 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 59.98 20.06 9.13 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.52 -0.738 . . . . 0.0 110.78 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -68.85 106.95 2.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.407 -1.433 . . . . 0.0 108.66 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.86 -40.02 94.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.875 . . . . 0.0 112.122 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -67.8 -39.95 83.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.84 -1.162 . . . . 0.0 109.944 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.04 -37.83 75.68 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.283 -0.967 . . . . 0.0 109.142 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.83 -41.71 91.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.819 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.44 HH22 ' CG ' ' A' ' 75' ' ' ARG . 50.6 mtt-85 -59.88 -49.79 76.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.927 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.0 -38.69 91.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.74 -1.225 . . . . 0.0 109.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.456 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.5 t90 -62.56 -47.78 82.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.835 . . . . 0.0 110.646 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.01 -48.6 62.61 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.162 -0.961 . . . . 0.0 110.4 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.17 -48.02 83.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.06 -1.025 . . . . 0.0 109.524 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 31.6 t0 -67.6 -32.18 72.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.5 m -79.07 -34.95 43.21 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.355 -0.841 . . . . 0.0 111.242 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.4 p -133.05 -39.74 0.94 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.528 -1.357 . . . . 0.0 112.182 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.493 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 113.54 16.79 7.93 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.2 152.18 3.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.993 -1.298 . . . . 0.0 109.782 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.0 172.49 8.41 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.165 -0.96 . . . . 0.0 109.822 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.18 71.59 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.349 -0.844 . . . . 0.0 110.988 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -70.2 -40.07 74.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.71 -1.243 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -66.26 -39.72 89.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 110.352 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 m -63.78 -39.95 95.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.365 -0.835 . . . . 0.0 110.603 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' CG ' HH22 ' A' ' 60' ' ' ARG . 95.6 mtt180 -61.19 -38.57 87.0 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.673 -1.267 . . . . 0.0 109.279 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.96 -39.9 75.74 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.849 -1.157 . . . . 0.0 110.501 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.74 -39.98 80.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.917 -1.114 . . . . 0.0 109.356 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -59.87 4.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.976 -1.077 . . . . 0.0 110.052 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.86 -32.96 83.77 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -67.29 -49.98 62.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.949 -1.324 . . . . 0.0 109.38 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.56 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -63.76 -40.01 95.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.044 -1.035 . . . . 0.0 110.374 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -69.79 -38.57 76.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 110.099 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.1 t90 -61.62 -44.57 96.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.732 -1.23 . . . . 0.0 108.728 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.2 -39.95 88.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 0.0 109.169 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.53 -31.71 69.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.396 -0.815 . . . . 0.0 110.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.25 18.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 110.695 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 98.4 m-85 -105.73 -85.57 0.49 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.209 -0.932 . . . . 0.0 110.298 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.762 0 O-C-N 120.931 -1.106 . . . . 0.0 108.941 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.328 0.585 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.3 p -80.25 166.45 21.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.9 p -71.11 150.74 45.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 0.0 109.346 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 92.1 p -79.03 162.74 25.7 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.357 -0.84 . . . . 0.0 109.245 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.36 -21.99 62.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.67 -0.644 . . . . 0.0 109.782 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.51 -37.11 80.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.945 . . . . 0.0 109.706 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -59.91 -49.98 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.122 -0.986 . . . . 0.0 110.802 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.72 -32.73 71.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.942 -1.099 . . . . 0.0 109.522 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.64 -39.91 73.38 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.472 -0.768 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -69.92 -40.78 75.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.824 -1.173 . . . . 0.0 110.816 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -83.69 12.03 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.063 -1.023 . . . . 0.0 110.808 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.55 -5.23 10.28 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.336 -0.853 . . . . 0.0 110.411 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.71 151.41 23.48 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 120.937 -1.102 . . . . 0.0 109.352 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -42.33 159.97 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.834 1.689 . . . . 0.0 111.829 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 9.4 ptp -92.74 -21.62 19.84 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.202 -0.936 . . . . 0.0 109.951 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.4 -138.07 37.12 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -106.74 31.53 5.21 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.584 -0.951 . . . . 0.0 110.194 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.04 148.69 76.93 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.918 -1.114 . . . . 0.0 108.994 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.35 77.6 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.401 2.067 . . . . 0.0 112.422 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 p -52.76 -39.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.749 -0.594 . . . . 0.0 110.679 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.25 -2.97 5.94 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -82.08 -24.42 35.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.82 -1.4 . . . . 0.0 109.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.01 139.85 58.81 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.951 0.882 . . . . 0.0 109.743 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 137.41 58.07 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.663 0.744 . . . . 0.0 110.518 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.18 -20.97 47.92 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.37 120.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.034 -1.274 . . . . 0.0 108.519 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.89 175.99 38.94 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -59.5 -39.99 85.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.987 . . . . 0.0 110.401 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -44.79 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.03 -36.85 83.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.07 92.02 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' B' ' 36' ' ' GLU . 62.7 tttm -64.04 -40.01 95.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.962 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.89 -48.34 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.903 -1.123 . . . . 0.0 109.93 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.92 -38.47 85.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.039 -1.038 . . . . 0.0 108.729 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.05 -40.2 88.6 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 98.8 mt-10 -68.49 -19.26 64.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.221 -0.924 . . . . 0.0 108.896 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -89.6 1.17 56.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.381 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.55 3.87 43.43 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.998 -1.064 . . . . 0.0 111.895 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.77 76.76 1.29 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.978 -1.307 . . . . 0.0 109.068 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -81.29 -10.1 59.64 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.808 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.92 158.93 43.32 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.908 -1.12 . . . . 0.0 110.62 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.3 -19.95 57.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.423 -1.423 . . . . 0.0 111.099 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -77.98 -34.67 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.542 -1.349 . . . . 0.0 107.565 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.93 -36.4 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 tp -60.07 -38.21 82.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.38 -42.01 95.45 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.02 -41.68 92.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.941 -1.329 . . . . 0.0 108.848 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -60.37 -40.16 89.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.423 -0.798 . . . . 0.0 108.87 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.31 -38.9 82.07 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.0 -29.66 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.381 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.63 12.72 8.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.046 -1.034 . . . . 0.0 110.245 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 69.0 mttm 47.94 38.35 9.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.691 -1.256 . . . . 0.0 110.206 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 60.01 19.95 9.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.556 -0.715 . . . . 0.0 110.755 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.67 106.92 2.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.402 -1.436 . . . . 0.0 108.615 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -40.13 94.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.946 . . . . 0.0 112.12 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.57 -40.02 84.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.879 -1.138 . . . . 0.0 110.041 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.158 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.76 -41.71 91.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.513 -0.742 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.436 HH22 ' CG ' ' B' ' 75' ' ' ARG . 49.5 mtt-85 -59.99 -49.95 75.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.276 -0.89 . . . . 0.0 110.931 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.82 -38.36 90.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.891 -1.131 . . . . 0.0 109.164 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.443 ' O ' ' OG1' ' B' ' 66' ' ' THR . 69.1 t90 -62.98 -47.56 82.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.366 -0.834 . . . . 0.0 110.694 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.94 -48.73 62.52 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.07 -48.12 83.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.043 -1.036 . . . . 0.0 109.511 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 36.5 t0 -67.47 -31.93 72.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.606 -0.684 . . . . 0.0 109.38 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 52.7 m -79.34 -34.77 41.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.825 . . . . 0.0 111.3 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.4 p -133.14 -39.87 0.93 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.57 -1.331 . . . . 0.0 112.083 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 113.45 17.08 7.79 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.28 152.18 3.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.993 -1.298 . . . . 0.0 109.775 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.88 172.77 8.24 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.105 -0.997 . . . . 0.0 109.735 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.2 71.71 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.4 -0.812 . . . . 0.0 110.998 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -70.35 -40.08 74.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.776 -1.202 . . . . 0.0 109.856 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.19 -39.73 89.91 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.426 -0.796 . . . . 0.0 110.325 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 56.7 m -63.76 -40.02 95.69 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.189 -0.944 . . . . 0.0 110.579 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.436 ' CG ' HH22 ' B' ' 60' ' ' ARG . 95.8 mtt180 -61.36 -38.31 86.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.61 -1.307 . . . . 0.0 109.227 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.948 -1.095 . . . . 0.0 110.626 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -68.69 -40.12 80.19 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.88 -1.137 . . . . 0.0 109.406 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.1 -59.68 5.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.065 . . . . 0.0 110.03 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.83 83.62 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.54 -49.87 61.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.906 -1.349 . . . . 0.0 109.35 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -39.95 75.23 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.45 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.66 -40.05 95.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.105 -0.997 . . . . 0.0 110.482 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.85 -38.52 76.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.083 -1.011 . . . . 0.0 110.117 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -61.67 -44.71 96.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.621 -1.3 . . . . 0.0 108.655 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.08 -39.97 87.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.47 -31.47 69.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.496 -0.752 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -36.29 18.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.994 -1.066 . . . . 0.0 110.601 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.4 m-85 -105.55 -85.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.269 -0.895 . . . . 0.0 110.14 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.836 -1.165 . . . . 0.0 108.981 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptm . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.404 0.621 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.4 m -65.57 143.86 57.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.7 p -70.01 160.02 32.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 109.73 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.4 m -79.51 168.51 19.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.836 . . . . 0.0 109.291 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.692 -0.63 . . . . 0.0 110.289 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.8 -39.44 94.24 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.154 -0.966 . . . . 0.0 109.734 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.403 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.3 t60 -59.87 -50.23 74.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.061 -1.024 . . . . 0.0 110.596 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.23 -33.61 71.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.974 -1.079 . . . . 0.0 109.949 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.79 -39.97 72.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.345 -0.847 . . . . 0.0 110.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.94 -44.48 80.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.434 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.0 m -84.95 13.71 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 110.367 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.73 -10.3 14.47 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.281 -0.887 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -153.95 152.12 26.14 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 120.969 -1.082 . . . . 0.0 109.215 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -40.48 160.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.091 1.86 . . . . 0.0 112.039 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptp -88.69 -20.82 24.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.038 -1.039 . . . . 0.0 109.648 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.15 -140.01 13.13 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.52 29.89 6.16 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.438 -1.036 . . . . 0.0 110.435 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.69 149.84 77.82 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.944 -1.098 . . . . 0.0 108.686 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.66 156.96 61.12 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.555 2.17 . . . . 0.0 112.909 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' SER . 2.9 p -55.58 -40.79 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.618 -0.676 . . . . 0.0 110.607 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.85 -2.3 2.48 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 73.9 m -81.16 -21.66 39.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.857 -1.378 . . . . 0.0 108.914 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.27 139.96 58.66 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.336 -0.852 . . . . 0.0 109.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 136.35 56.69 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.536 0.684 . . . . 0.0 109.837 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.29 -19.97 51.82 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 26' ' ' ILE . 31.9 mm -98.52 116.87 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -1.146 . . . . 0.0 108.174 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.01 177.08 38.08 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -58.03 -39.93 79.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.419 -1.048 . . . . 0.0 110.321 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -43.82 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.022 . . . . 0.0 109.419 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.64 -39.54 84.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -0.879 . . . . 0.0 109.659 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.06 -36.94 90.75 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.44 -39.74 92.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -1.056 . . . . 0.0 110.685 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.27 -47.01 71.94 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.741 -1.225 . . . . 0.0 110.142 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 mt -60.02 -39.72 86.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.9 -1.125 . . . . 0.0 108.292 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.15 -40.62 90.49 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.948 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.31 -19.6 64.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.065 -1.022 . . . . 0.0 108.767 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HG2' HH11 ' A' ' 37' ' ' ARG . 1.3 mmt-85 -89.95 1.26 56.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.513 -0.742 . . . . 0.0 110.684 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.98 40.54 Favored Glycine 0 N--CA 1.505 3.24 0 O-C-N 120.969 -1.082 . . . . 0.0 111.836 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -103.77 73.57 1.18 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.889 -1.359 . . . . 0.0 108.618 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 27.9 p-10 -82.63 -12.5 57.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.665 -178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.17 151.16 51.0 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 109.697 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.02 94.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -59.98 -19.6 53.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.501 -1.374 . . . . 0.0 110.959 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.08 -32.18 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.636 -1.29 . . . . 0.0 107.638 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.25 -39.48 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.94 -38.74 83.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.25 -43.61 74.95 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.08 -42.95 95.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.263 . . . . 0.0 109.529 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.63 -37.95 83.2 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.804 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.32 -26.78 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.097 -1.002 . . . . 0.0 110.932 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.69 12.44 10.7 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.98 -1.075 . . . . 0.0 111.232 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 47.95 38.77 9.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.643 -1.286 . . . . 0.0 110.01 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 60.09 20.16 9.39 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.566 -0.709 . . . . 0.0 110.553 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -67.4 106.72 2.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.58 -1.325 . . . . 0.0 108.288 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.3 -40.84 96.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.323 -0.86 . . . . 0.0 112.745 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.28 -39.12 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.434 -1.416 . . . . 0.0 109.528 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.88 -39.81 76.08 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.66 -48.78 73.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 109.773 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -59.98 -47.42 85.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.379 -0.826 . . . . 0.0 110.415 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.09 -37.5 87.69 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.18 -0.95 . . . . 0.0 109.44 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.445 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.4 t90 -63.72 -47.51 80.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.242 -0.911 . . . . 0.0 111.45 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 58.8 tp -69.01 -46.74 67.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 0.0 110.704 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.38 -47.83 84.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.028 -1.045 . . . . 0.0 110.338 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.03 -26.54 64.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.734 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.5 m -80.48 -33.47 36.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.189 -0.944 . . . . 0.0 111.238 -178.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 11.6 p -132.3 -26.94 1.83 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.624 -1.298 . . . . 0.0 111.938 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.33 13.77 27.71 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -50.83 153.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.084 -1.245 . . . . 0.0 109.061 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.07 171.73 9.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 109.83 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.97 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.581 -0.699 . . . . 0.0 110.694 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -71.69 -40.1 69.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.857 -1.152 . . . . 0.0 109.736 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.45 -39.64 92.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.476 -0.765 . . . . 0.0 109.749 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 m -63.36 -39.98 96.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.499 -0.75 . . . . 0.0 110.576 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.22 -38.43 83.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.765 -1.209 . . . . 0.0 110.167 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.94 -39.79 83.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.59 -1.319 . . . . 0.0 110.808 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.3 -40.11 81.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.73 -1.231 . . . . 0.0 110.253 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.32 -60.33 4.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.628 -1.295 . . . . 0.0 110.459 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.65 -32.17 77.65 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.0 -1.294 . . . . 0.0 110.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.034 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -62.11 -40.04 94.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -0.888 . . . . 0.0 110.569 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.1 mt-10 -70.01 -38.33 75.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 111.218 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.1 t90 -61.47 -45.05 95.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.446 -1.409 . . . . 0.0 109.161 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.45 -40.11 93.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.0 110.225 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.61 -29.59 66.58 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.63 12.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.203 -0.936 . . . . 0.0 111.499 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 83.3 m-85 -109.96 -10.86 14.7 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.157 -0.964 . . . . 0.0 113.366 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 N--CA 1.504 2.228 0 O-C-N 120.278 -1.514 . . . . 0.0 109.487 -179.604 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.415 0.626 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -65.8 143.99 57.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.129 -0.982 . . . . 0.0 109.612 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.4 p -70.09 159.98 32.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.345 -0.847 . . . . 0.0 109.776 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m -79.3 168.4 19.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 0.0 109.374 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.08 -20.11 66.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.547 -0.721 . . . . 0.0 110.207 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -39.4 94.11 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.193 -0.942 . . . . 0.0 109.835 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.401 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 72.2 t60 -60.02 -50.23 74.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 110.62 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.04 -33.51 72.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.91 -39.98 72.42 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.372 -0.83 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.99 -44.42 80.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.102 -0.999 . . . . 0.0 110.468 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 14.2 m -85.14 14.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.976 -1.078 . . . . 0.0 110.301 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.95 -10.51 14.39 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.381 -0.824 . . . . 0.0 110.515 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -153.85 152.1 26.24 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.936 -1.102 . . . . 0.0 109.111 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.44 160.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.024 1.816 . . . . 0.0 112.101 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.8 ptp -88.83 -20.8 24.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.068 -1.02 . . . . 0.0 109.637 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.04 -140.0 12.54 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.47 30.07 5.99 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.463 -1.022 . . . . 0.0 110.454 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.85 149.8 79.22 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.869 -1.145 . . . . 0.0 108.664 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.67 156.86 61.71 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.503 2.135 . . . . 0.0 112.984 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.0 p -55.31 -40.99 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.638 -0.664 . . . . 0.0 110.637 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -2.26 2.41 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.438 ' H ' ' C ' ' B' ' 20' ' ' VAL . 72.9 m -81.28 -21.42 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.807 -1.408 . . . . 0.0 108.96 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.56 139.85 58.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.274 -0.891 . . . . 0.0 109.744 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 136.29 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.649 0.738 . . . . 0.0 109.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.5 -20.01 51.39 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.4 117.13 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.195 -1.179 . . . . 0.0 108.187 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 177.2 38.08 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -58.09 -40.03 80.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -1.012 . . . . 0.0 110.265 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.25 -43.89 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.494 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.62 -39.59 84.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.621 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.19 -36.91 90.78 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.34 -39.98 93.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -1.041 . . . . 0.0 110.649 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.91 -47.15 72.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.862 -1.149 . . . . 0.0 110.193 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.01 -39.76 86.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.953 -1.092 . . . . 0.0 108.298 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.06 -19.56 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.3 mmt-85 -90.03 1.38 56.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.452 -0.78 . . . . 0.0 110.593 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.29 5.06 40.62 Favored Glycine 0 N--CA 1.505 3.266 0 O-C-N 121.039 -1.038 . . . . 0.0 111.797 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.87 73.57 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.792 -1.416 . . . . 0.0 108.549 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.76 -12.68 57.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.788 . . . . 0.0 110.651 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.06 151.3 50.76 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.153 -0.967 . . . . 0.0 109.613 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.06 94.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.615 -0.678 . . . . 0.0 111.606 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -59.99 -19.66 53.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.583 -1.323 . . . . 0.0 110.949 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.89 -32.35 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.09 -39.56 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.98 -38.63 83.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.35 -43.65 76.03 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.1 -42.84 95.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.075 -1.25 . . . . 0.0 109.491 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.0 -39.93 87.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.15 -0.969 . . . . 0.0 108.827 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.86 -37.82 82.31 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.5 t -67.34 -26.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.217 -0.927 . . . . 0.0 110.956 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.0 12.59 10.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.973 -1.079 . . . . 0.0 111.109 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 47.81 38.83 9.43 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.614 -1.304 . . . . 0.0 110.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 59.93 20.01 9.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.676 -0.64 . . . . 0.0 110.64 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -66.96 107.02 2.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.634 -1.291 . . . . 0.0 108.235 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.82 -40.73 95.68 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.31 -0.869 . . . . 0.0 112.699 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.18 -39.21 82.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.435 -1.415 . . . . 0.0 109.578 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.59 -48.85 73.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.086 -1.009 . . . . 0.0 109.729 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -59.99 -47.53 85.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 110.423 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.448 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.2 t90 -63.87 -47.42 80.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.409 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.496 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 58.6 tp -69.13 -46.56 67.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.015 -1.053 . . . . 0.0 110.72 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.46 -47.96 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.004 -1.06 . . . . 0.0 110.265 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.88 -26.8 64.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.6 m -80.37 -33.33 37.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 111.263 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 11.2 p -132.24 -27.4 1.8 Allowed 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.549 -1.344 . . . . 0.0 111.878 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.67 13.85 26.83 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.43 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -50.88 153.76 1.68 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.105 -1.233 . . . . 0.0 109.019 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.05 171.76 9.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.996 -1.065 . . . . 0.0 109.87 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.89 74.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.569 -0.707 . . . . 0.0 110.704 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.69 -40.14 69.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.916 -1.115 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.46 -39.72 92.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.451 -0.78 . . . . 0.0 109.795 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.4 m -63.17 -39.99 96.25 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.611 -0.68 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.46 -38.25 83.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 110.228 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -67.98 -39.76 83.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.485 -1.385 . . . . 0.0 110.87 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -40.04 81.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.775 -1.203 . . . . 0.0 110.209 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.35 -60.34 4.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.66 -1.275 . . . . 0.0 110.477 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.68 -32.03 77.31 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -70.47 -47.61 59.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.069 -1.253 . . . . 0.0 110.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.111 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -62.22 -40.1 95.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.401 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 94.9 mt-10 -69.97 -38.43 76.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.997 -1.064 . . . . 0.0 111.229 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.1 t90 -61.42 -45.05 95.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.515 -1.366 . . . . 0.0 109.197 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 68.0 m -61.56 -39.95 92.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.515 -0.741 . . . . 0.0 110.221 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -58.84 -29.42 66.91 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.079 -1.013 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.44 -34.81 11.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.216 -0.927 . . . . 0.0 111.464 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 83.5 m-85 -109.79 -11.0 14.75 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.231 -0.918 . . . . 0.0 113.374 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp . . . . . 0 N--CA 1.504 2.23 0 O-C-N 120.288 -1.507 . . . . 0.0 109.442 -179.627 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -70.04 -77.47 0.08 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.334 -0.854 . . . . 0.0 109.331 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -74.43 153.85 39.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.531 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.9 m -78.31 166.82 22.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.339 -0.851 . . . . 0.0 109.443 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -58.48 -19.6 38.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.619 -0.675 . . . . 0.0 110.374 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.32 -39.13 92.01 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.974 -1.078 . . . . 0.0 109.671 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -58.25 -50.59 73.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 0.0 110.36 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -33.06 71.6 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 110.088 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.24 -39.47 75.01 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.0 t80 -67.93 -41.05 83.19 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.14 -0.975 . . . . 0.0 110.864 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.9 m -82.58 14.59 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.974 -1.078 . . . . 0.0 109.942 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.69 -6.89 9.65 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.486 -0.759 . . . . 0.0 110.692 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.25 151.92 32.43 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 120.834 -1.166 . . . . 0.0 109.755 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.33 156.58 0.53 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.824 1.683 . . . . 0.0 111.666 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -90.14 -24.52 21.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.048 -1.032 . . . . 0.0 109.618 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.23 -138.23 39.96 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.64 32.24 4.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.479 -1.012 . . . . 0.0 110.346 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 149.88 83.14 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.09 157.33 62.23 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.384 2.056 . . . . 0.0 112.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' SER . 5.3 p -55.49 -45.5 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.532 -0.73 . . . . 0.0 110.321 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.93 -3.79 1.34 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.5 t -81.53 -23.02 37.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.843 -1.387 . . . . 0.0 108.74 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.98 139.78 58.8 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.319 -0.863 . . . . 0.0 109.139 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -65.37 136.99 57.2 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.739 0.781 . . . . 0.0 110.14 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.45 53.26 Favored Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.93 119.87 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.168 -1.196 . . . . 0.0 108.51 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.03 176.13 37.21 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.747 -1.221 . . . . 0.0 110.055 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.06 -39.99 75.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.671 -0.9 . . . . 0.0 110.299 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.92 -42.79 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.638 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.37 -38.93 85.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.1 -39.96 96.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.95 -40.03 96.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.241 -1.152 . . . . 0.0 111.143 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.57 -43.41 76.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.533 -1.355 . . . . 0.0 109.781 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.24 -39.95 96.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 108.73 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -41.36 91.79 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.726 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.49 -21.55 66.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.94 . . . . 0.0 109.461 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -90.9 4.48 51.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.27 -0.894 . . . . 0.0 111.021 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.86 45.03 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 120.931 -1.106 . . . . 0.0 111.984 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.84 72.32 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.857 -1.378 . . . . 0.0 107.697 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.05 -9.7 59.72 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.971 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.08 157.89 45.68 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.949 -1.094 . . . . 0.0 110.489 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.44 91.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.678 -0.639 . . . . 0.0 112.636 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -59.91 -18.41 44.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.381 -1.449 . . . . 0.0 111.011 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -77.2 -32.06 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.94 -37.02 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.0 -39.0 84.26 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.57 98.43 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.97 -41.84 92.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.411 . . . . 0.0 108.751 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.07 -40.9 91.1 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.11 -37.69 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.57 -27.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.456 -0.777 . . . . 0.0 110.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.72 13.91 13.11 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.109 -0.994 . . . . 0.0 110.218 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 47.25 40.48 10.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.826 -1.171 . . . . 0.0 110.313 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.95 20.82 9.85 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.54 -0.725 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.06 112.31 4.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.447 -1.408 . . . . 0.0 108.659 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 86.5 tt0 -66.27 -41.49 89.79 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.423 -0.798 . . . . 0.0 112.87 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.67 -39.53 76.96 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.84 -1.163 . . . . 0.0 110.394 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.57 -39.26 77.47 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.081 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.62 -47.53 81.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 0.0 109.611 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.6 mtt180 -60.12 -47.38 86.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.925 . . . . 0.0 110.879 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.75 -38.98 93.13 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.72 -1.238 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.5 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.6 t90 -64.42 -48.08 76.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 111.171 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.93 -46.25 75.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.911 -1.118 . . . . 0.0 110.642 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.18 -46.79 89.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.078 -1.014 . . . . 0.0 110.096 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.75 -27.79 65.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.594 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 96.6 m -75.97 -37.39 58.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.285 -0.884 . . . . 0.0 110.736 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.0 p -131.43 -28.56 1.86 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.607 -1.308 . . . . 0.0 112.249 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.0 16.75 12.87 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 151.79 2.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -1.086 . . . . 0.0 110.151 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.19 170.11 10.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.324 -0.86 . . . . 0.0 109.704 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.38 73.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.0 110.701 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -70.92 -43.41 68.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.799 -1.188 . . . . 0.0 110.599 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.32 -31.71 72.18 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -68.69 -37.63 79.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.056 -1.028 . . . . 0.0 109.814 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.63 -39.1 87.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.017 -1.052 . . . . 0.0 110.192 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.44 -39.92 85.41 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.564 -1.335 . . . . 0.0 110.755 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 92.2 m -70.09 -39.98 75.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.761 -1.212 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.4 -60.06 4.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.653 -1.279 . . . . 0.0 110.11 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.41 -33.32 84.23 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.32 -46.56 73.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.747 -1.443 . . . . 0.0 109.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.03 -39.11 75.95 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.735 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -59.99 -43.42 95.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.277 -0.889 . . . . 0.0 110.475 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' O ' ' A' ' 79' ' ' GLY . 1.1 mp0 -70.61 -37.39 73.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.107 -0.996 . . . . 0.0 110.902 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.561 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.3 t90 -60.07 -44.75 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.424 -1.422 . . . . 0.0 108.356 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -39.98 93.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.547 -0.721 . . . . 0.0 109.367 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.98 -33.89 72.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.486 -0.759 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.25 -39.07 18.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.13 -0.981 . . . . 0.0 110.626 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.165 -0.96 . . . . 0.0 110.643 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.279 -179.78 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttm . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -70.07 -77.56 0.08 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.263 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.7 p -74.38 153.75 39.13 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.319 -0.863 . . . . 0.0 109.573 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 31.9 m -78.22 166.79 22.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.233 -0.917 . . . . 0.0 109.46 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -58.47 -19.52 37.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.678 -0.639 . . . . 0.0 110.488 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.44 -39.08 92.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.99 -1.069 . . . . 0.0 109.648 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -58.25 -50.61 72.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.133 -0.979 . . . . 0.0 110.405 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -32.98 71.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.031 -1.043 . . . . 0.0 110.152 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.33 -39.44 74.74 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.323 -0.86 . . . . 0.0 110.367 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.0 t80 -67.9 -41.01 83.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.173 -0.955 . . . . 0.0 110.886 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -82.72 14.77 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.854 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.78 -7.0 9.61 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.518 -0.739 . . . . 0.0 110.619 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.16 151.91 32.63 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.75 -1.219 . . . . 0.0 109.815 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.35 156.67 0.53 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.856 1.704 . . . . 0.0 111.675 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 10.6 ptp -90.17 -24.53 21.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.027 -1.046 . . . . 0.0 109.563 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.05 -138.23 39.29 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.53 32.26 4.19 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.54 -0.976 . . . . 0.0 110.328 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.62 149.91 82.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.988 -1.07 . . . . 0.0 109.168 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.09 157.42 61.79 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.336 2.024 . . . . 0.0 112.666 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' B' ' 22' ' ' SER . 5.4 p -55.47 -45.55 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.553 -0.717 . . . . 0.0 110.32 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.87 -3.78 1.32 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.467 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.5 t -81.67 -22.86 37.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.828 -1.395 . . . . 0.0 108.721 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.21 139.74 58.8 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.487 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -65.28 136.97 57.23 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.667 0.746 . . . . 0.0 110.174 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.75 -19.32 53.89 Favored Glycine 0 N--CA 1.498 2.784 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.97 119.89 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.152 -1.205 . . . . 0.0 108.548 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.03 176.15 37.23 Favored Glycine 0 N--CA 1.492 2.406 0 O-C-N 120.739 -1.226 . . . . 0.0 110.061 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.03 -39.96 75.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.61 -0.935 . . . . 0.0 110.422 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.88 -42.95 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.924 -1.11 . . . . 0.0 109.64 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -67.12 -39.06 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.361 -0.837 . . . . 0.0 109.683 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.93 96.5 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.04 -40.01 96.45 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.276 -1.132 . . . . 0.0 111.138 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.43 -43.47 77.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.426 -1.421 . . . . 0.0 109.847 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.23 -39.97 96.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 108.752 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.98 -41.23 91.54 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.58 -21.61 66.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.275 -0.891 . . . . 0.0 109.454 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -90.81 4.57 51.36 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.298 -0.876 . . . . 0.0 111.142 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.94 45.16 Favored Glycine 0 N--CA 1.503 3.121 0 O-C-N 120.926 -1.109 . . . . 0.0 111.951 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.97 72.36 1.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.744 -1.445 . . . . 0.0 107.684 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.17 -9.49 59.72 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.938 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.22 157.85 45.74 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.026 -1.046 . . . . 0.0 110.555 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.39 91.62 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -60.03 -18.32 45.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.46 -1.4 . . . . 0.0 111.001 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.16 -32.03 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.99 -36.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 16.6 tp -60.04 -39.12 84.84 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.67 98.31 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.95 -41.84 92.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.988 -1.301 . . . . 0.0 108.655 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.08 -40.83 90.92 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.18 -37.75 81.3 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.46 -27.36 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.438 -0.789 . . . . 0.0 110.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.87 14.13 12.82 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.092 -1.005 . . . . 0.0 110.284 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 47.15 40.46 10.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.822 -1.174 . . . . 0.0 110.361 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 60.11 20.51 9.75 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.567 -0.708 . . . . 0.0 110.612 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -67.84 112.3 4.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.551 -1.343 . . . . 0.0 108.606 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 86.5 tt0 -66.35 -41.53 89.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.524 -0.735 . . . . 0.0 112.822 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.63 -39.43 77.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.816 -1.178 . . . . 0.0 110.374 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.73 -39.17 76.97 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.07 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.68 -47.54 80.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.653 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.6 mtt180 -59.94 -47.72 84.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.876 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.47 -38.97 93.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.686 -1.259 . . . . 0.0 109.48 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.509 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.98 -46.3 75.03 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.925 -1.109 . . . . 0.0 110.663 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.12 -46.86 88.85 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.112 -0.992 . . . . 0.0 110.131 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -69.52 -28.01 65.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 109.675 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 96.6 m -75.93 -37.4 58.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.338 -0.851 . . . . 0.0 110.772 -178.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.29 -28.73 1.87 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.606 -1.309 . . . . 0.0 112.355 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.8 12.63 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.85 3.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -1.138 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.17 170.07 10.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.25 -0.906 . . . . 0.0 109.657 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.18 72.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.487 -0.758 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -71.12 -43.27 67.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 0.0 110.585 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.4 -31.75 72.18 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.17 -0.956 . . . . 0.0 110.341 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.6 p -68.68 -37.62 79.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.062 -1.024 . . . . 0.0 109.811 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.69 -38.92 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 110.289 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.6 -40.01 84.75 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.656 -1.277 . . . . 0.0 110.684 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 93.0 m -70.0 -39.94 75.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.873 -1.142 . . . . 0.0 110.519 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -60.38 -60.02 4.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.661 -1.274 . . . . 0.0 110.206 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.447 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.56 -33.07 83.57 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -67.5 -46.6 72.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.788 -1.419 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.03 -39.15 75.94 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.753 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -60.0 -43.12 95.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.158 -0.964 . . . . 0.0 110.494 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 79' ' ' GLY . 0.9 OUTLIER -71.06 -37.2 72.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 110.654 -179.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.559 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 72.1 t90 -60.13 -44.72 94.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.366 -1.459 . . . . 0.0 108.314 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -40.01 93.62 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.609 -0.682 . . . . 0.0 109.288 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -33.76 72.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.779 . . . . 0.0 109.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.35 -39.15 17.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.16 -0.962 . . . . 0.0 110.552 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.7 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.136 -0.977 . . . . 0.0 110.606 -178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 109.312 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.191 0.519 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 p -80.12 160.53 25.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.85 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p -76.77 162.7 27.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.409 -0.807 . . . . 0.0 109.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.5 t -64.28 150.75 45.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -0.8 . . . . 0.0 108.906 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -59.0 -19.46 43.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.507 -0.745 . . . . 0.0 110.551 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.13 -37.3 87.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.999 -1.063 . . . . 0.0 109.362 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.533 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.4 t60 -59.27 -50.3 74.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 110.422 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.9 mtm-85 -70.08 -31.09 68.5 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.199 -0.938 . . . . 0.0 109.781 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.92 -39.51 63.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -66.32 -39.99 89.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.028 -1.045 . . . . 0.0 109.978 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.08 18.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.021 -1.049 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -7.21 9.95 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.58 -0.7 . . . . 0.0 110.451 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.63 153.32 31.84 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.196 . . . . 0.0 109.894 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.25 158.91 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.85 1.7 . . . . 0.0 111.722 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.9 ptp -88.47 -20.44 25.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.916 -1.115 . . . . 0.0 109.066 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.58 13.72 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.88 29.52 6.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.594 -0.945 . . . . 0.0 110.162 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -60.93 149.48 80.94 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.929 -1.107 . . . . 0.0 108.717 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -67.38 158.68 55.87 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.491 2.127 . . . . 0.0 112.779 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.67 -42.64 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.681 -0.637 . . . . 0.0 111.075 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.38 -2.65 3.26 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 t -82.67 -23.74 34.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.847 -1.384 . . . . 0.0 109.344 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.45 138.87 58.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.357 -0.84 . . . . 0.0 109.38 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 135.89 56.11 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.663 0.744 . . . . 0.0 109.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -19.56 48.12 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mm -99.5 120.82 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.227 -1.16 . . . . 0.0 108.37 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.79 175.34 35.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -40.01 82.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.157 . . . . 0.0 110.201 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -46.89 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.97 -1.081 . . . . 0.0 109.586 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.1 -37.97 84.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.02 95.09 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.98 -39.42 93.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.18 . . . . 0.0 110.6 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.72 -45.43 82.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.724 -1.235 . . . . 0.0 109.671 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.43 -37.35 85.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.899 -1.126 . . . . 0.0 108.866 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -40.48 89.14 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.912 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -19.19 64.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 108.925 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -90.13 1.25 56.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.521 -0.737 . . . . 0.0 110.602 -178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.51 45.73 Favored Glycine 0 N--CA 1.504 3.215 0 O-C-N 120.926 -1.109 . . . . 0.0 112.148 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.4 74.08 1.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.82 -1.4 . . . . 0.0 107.928 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -82.61 -10.73 58.83 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.932 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -135.78 156.4 48.87 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.074 -1.016 . . . . 0.0 110.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.22 95.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.705 -0.622 . . . . 0.0 112.677 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.21 -19.96 62.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.452 -1.405 . . . . 0.0 111.259 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.35 -31.91 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.15 -38.28 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.99 -40.0 87.69 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.36 84.14 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.2 -43.1 96.19 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.958 -1.319 . . . . 0.0 109.236 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.03 -39.96 87.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.382 -0.824 . . . . 0.0 108.891 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.7 -37.42 82.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.643 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.59 -28.23 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.55 13.13 12.73 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.084 -1.01 . . . . 0.0 110.451 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.23 40.45 10.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.654 -1.279 . . . . 0.0 110.533 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.4 20.01 9.64 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.568 -0.708 . . . . 0.0 111.039 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.02 107.85 3.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.492 -1.38 . . . . 0.0 108.305 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.71 -40.03 95.78 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.23 -39.99 78.21 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.523 -1.361 . . . . 0.0 110.342 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.89 -38.89 76.47 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.94 -48.93 74.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.97 -46.77 88.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 110.797 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.19 -37.12 85.98 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.815 -1.178 . . . . 0.0 108.973 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.456 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -64.44 -46.32 83.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.927 . . . . 0.0 111.077 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 tp -69.33 -47.53 64.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.855 -1.153 . . . . 0.0 110.688 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.95 -49.49 77.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.313 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -69.76 -25.7 63.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.375 -0.828 . . . . 0.0 109.711 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -80.59 -34.64 35.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 0.0 111.424 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.3 p -132.99 -29.64 1.44 Allowed 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.464 -1.398 . . . . 0.0 112.004 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.5 14.42 18.05 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.09 153.45 3.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.903 -1.351 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.22 172.98 8.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.165 -0.959 . . . . 0.0 109.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.73 72.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.494 -0.754 . . . . 0.0 111.641 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HZ2' HE22 ' A' ' 73' ' ' GLN . 8.1 ttpm? -71.31 -42.93 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.43 -1.419 . . . . 0.0 110.722 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.495 HE22 ' HZ2' ' A' ' 72' ' ' LYS . 5.4 mp0 -66.84 -35.48 80.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.076 -1.015 . . . . 0.0 110.576 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 t -67.17 -38.6 85.71 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.971 -1.081 . . . . 0.0 110.246 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.97 -37.29 79.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.81 -1.181 . . . . 0.0 109.853 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.73 -37.61 76.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.617 -1.302 . . . . 0.0 110.735 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.95 -41.23 78.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.654 -1.279 . . . . 0.0 109.702 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.72 -59.57 5.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.694 -1.254 . . . . 0.0 109.843 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.27 77.98 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.16 -49.98 62.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.07 -1.253 . . . . 0.0 109.6 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.562 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.04 -42.98 95.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 109.984 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 92.5 mt-10 -69.99 -37.55 75.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -60.02 -42.97 95.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.447 -1.408 . . . . 0.0 107.547 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.66 -40.09 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.747 . . . . 0.0 109.258 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.27 -35.09 74.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 0.0 110.239 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -36.78 18.45 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.113 -0.992 . . . . 0.0 110.372 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.2 m-85 -105.81 -86.92 0.47 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.354 -178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.202 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.231 0.539 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 36.9 p -79.99 160.44 25.9 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.882 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -76.62 162.5 27.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.0 109.595 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 35.4 t -64.12 150.82 44.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.384 -0.823 . . . . 0.0 108.951 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -59.19 -19.35 44.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.588 -0.695 . . . . 0.0 110.49 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.16 -37.24 86.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 109.439 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.53 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.7 t60 -59.21 -50.54 73.63 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 110.417 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 53.0 mtm-85 -69.96 -31.16 68.75 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.304 -0.872 . . . . 0.0 109.827 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.9 -39.41 63.9 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.401 -0.812 . . . . 0.0 110.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.43 -40.0 89.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.83 18.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.976 -1.077 . . . . 0.0 109.383 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.85 -7.05 10.04 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.482 -0.761 . . . . 0.0 110.467 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.78 153.4 31.7 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.799 -1.188 . . . . 0.0 109.865 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.32 158.88 0.19 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.896 1.731 . . . . 0.0 111.718 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.8 ptp -88.4 -20.6 25.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.977 -1.077 . . . . 0.0 109.06 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -140.4 15.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -105.14 29.53 6.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.986 . . . . 0.0 110.14 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -60.96 149.27 81.87 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 120.999 -1.063 . . . . 0.0 108.827 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.3 158.59 56.28 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.502 2.135 . . . . 0.0 112.831 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' B' ' 22' ' ' SER . 5.3 p -55.45 -42.91 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.688 -0.632 . . . . 0.0 111.06 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.08 -2.92 3.08 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.066 -1.021 . . . . 0.0 110.614 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.402 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.8 t -82.46 -23.67 34.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.751 -1.44 . . . . 0.0 109.411 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.45 138.79 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.458 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 136.19 56.46 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.645 0.736 . . . . 0.0 109.873 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.99 -19.47 49.21 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.408 HG22 HD11 ' B' ' 26' ' ' ILE . 40.2 mm -99.66 120.83 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.179 -1.189 . . . . 0.0 108.381 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.68 175.38 35.58 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.62 -40.07 82.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.259 -1.142 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.58 -46.76 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.929 -1.107 . . . . 0.0 109.615 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -37.83 83.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.467 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.1 95.14 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.9 -39.3 93.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.338 -1.095 . . . . 0.0 110.621 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.84 -45.47 82.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.641 -1.287 . . . . 0.0 109.591 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.47 -37.31 85.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.946 -1.096 . . . . 0.0 108.86 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.02 -40.57 89.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 0.0 109.948 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.36 -19.02 64.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.23 -0.918 . . . . 0.0 108.971 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -90.22 1.15 56.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 110.598 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.49 45.38 Favored Glycine 0 N--CA 1.504 3.208 0 O-C-N 120.942 -1.099 . . . . 0.0 112.076 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.29 73.98 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.837 -1.39 . . . . 0.0 107.911 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -82.48 -11.03 58.76 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.914 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -135.52 156.35 49.03 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.032 -1.042 . . . . 0.0 110.057 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.26 95.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.669 -0.645 . . . . 0.0 112.644 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.14 -19.95 62.11 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.429 -1.419 . . . . 0.0 111.349 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -77.26 -32.16 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.96 -38.35 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.98 -39.93 87.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.41 -44.02 85.04 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.58 -42.99 97.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.915 -1.344 . . . . 0.0 109.254 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.94 -39.99 87.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.473 -0.767 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.73 -37.23 81.91 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.476 -0.89 . . . . 0.0 108.643 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.81 -28.33 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.047 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.49 13.07 12.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.058 -1.026 . . . . 0.0 110.384 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.24 40.56 10.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.698 -1.251 . . . . 0.0 110.513 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.47 20.03 9.75 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.506 -0.746 . . . . 0.0 111.06 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -70.17 107.58 3.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.453 -1.404 . . . . 0.0 108.438 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.56 -39.99 95.83 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.25 -40.04 78.11 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.468 -1.395 . . . . 0.0 110.436 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.8 -39.09 76.77 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.002 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.8 -48.93 74.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 109.524 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.01 -46.48 89.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.844 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.47 -37.06 85.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.736 -1.228 . . . . 0.0 108.977 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.467 ' O ' ' OG1' ' B' ' 66' ' ' THR . 63.8 t90 -64.46 -46.38 83.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.29 -47.57 64.19 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.853 -1.155 . . . . 0.0 110.627 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.98 -49.55 77.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.032 -1.043 . . . . 0.0 110.224 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -69.67 -25.82 64.08 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.373 -0.829 . . . . 0.0 109.708 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -80.5 -34.71 35.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 111.501 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 p -132.97 -29.6 1.44 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.439 -1.413 . . . . 0.0 111.924 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.54 14.17 18.64 Favored Glycine 0 N--CA 1.501 3.006 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.99 153.37 3.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.913 -1.346 . . . . 0.0 109.815 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.11 172.96 8.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.19 -0.944 . . . . 0.0 109.821 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.84 73.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.545 -0.722 . . . . 0.0 111.652 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.499 ' HZ2' HE22 ' B' ' 73' ' ' GLN . 8.1 ttpm? -71.34 -42.89 67.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.411 -1.431 . . . . 0.0 110.675 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.499 HE22 ' HZ2' ' B' ' 72' ' ' LYS . 5.5 mp0 -66.88 -35.34 79.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.959 -1.088 . . . . 0.0 110.592 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -67.2 -38.65 85.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.965 -1.084 . . . . 0.0 110.296 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.0 -37.45 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.765 -1.21 . . . . 0.0 109.744 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.52 -37.61 77.19 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.91 -41.29 78.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.673 -1.267 . . . . 0.0 109.732 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.64 -59.59 5.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.765 -1.209 . . . . 0.0 109.779 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -33.07 77.94 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.25 -49.99 62.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.099 -1.236 . . . . 0.0 109.493 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.11 -39.98 75.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 118.979 -1.089 . . . . 0.0 109.639 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -42.95 95.46 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 110.04 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.2 mt-10 -70.03 -37.55 75.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 110.777 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.3 t90 -60.03 -42.93 95.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.575 -1.328 . . . . 0.0 107.657 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.6 -40.08 93.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.588 -0.695 . . . . 0.0 109.284 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.29 -35.18 74.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.489 -0.757 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.67 -36.72 18.57 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.216 -0.928 . . . . 0.0 110.338 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.3 m-85 -105.92 -86.69 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.213 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.3 p -87.81 -0.01 56.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.148 -0.97 . . . . 0.0 108.985 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -71.94 159.65 33.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.836 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 t -78.4 164.8 24.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 109.691 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.97 -25.37 65.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.827 -0.545 . . . . 0.0 110.145 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -60.46 -35.56 76.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.966 . . . . 0.0 110.267 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.467 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 45.9 t60 -59.83 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 110.147 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 8' ' ' ARG . 51.8 mtt-85 -69.99 -34.26 73.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.913 . . . . 0.0 110.278 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.1 -37.28 75.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.314 -0.866 . . . . 0.0 109.653 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -62.89 -46.56 87.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.502 -0.749 . . . . 0.0 109.832 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 m -81.58 14.99 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.316 -0.865 . . . . 0.0 110.502 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.95 -9.45 14.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.304 -0.872 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.41 153.81 29.74 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.93 -1.106 . . . . 0.0 109.75 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.69 160.62 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.875 1.716 . . . . 0.0 111.622 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.46 -25.03 20.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 109.767 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.64 -136.84 31.89 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.58 29.91 6.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.448 -1.031 . . . . 0.0 110.648 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -60.49 148.54 80.41 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 120.747 -1.221 . . . . 0.0 108.269 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.34 155.89 67.8 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.12 1.88 . . . . 0.0 112.538 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.5 p -53.81 -46.99 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.621 -0.674 . . . . 0.0 110.834 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.69 -4.07 0.35 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 20' ' ' VAL . 33.8 t -81.14 -19.98 42.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.725 -1.456 . . . . 0.0 109.183 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.29 138.78 58.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.782 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.22 57.19 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.719 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -20.0 52.18 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mm -98.84 114.09 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.154 -1.204 . . . . 0.0 108.032 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.7 179.54 38.62 Favored Glycine 0 N--CA 1.495 2.6 0 O-C-N 120.594 -1.317 . . . . 0.0 110.205 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.513 -0.992 . . . . 0.0 110.169 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.22 -48.21 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.872 -1.143 . . . . 0.0 109.515 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.39 -37.41 85.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 109.226 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.46 -39.2 94.59 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.96 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -1.071 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -65.84 -47.53 74.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.918 -1.114 . . . . 0.0 109.487 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.39 -39.99 96.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 0.0 109.26 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.07 -41.05 91.58 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.539 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.35 -19.43 65.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.367 -0.833 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -90.26 0.47 57.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 111.073 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.31 4.71 40.74 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.979 -1.075 . . . . 0.0 111.717 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -104.99 73.73 1.07 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.818 -1.401 . . . . 0.0 108.251 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.05 -10.13 59.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.426 -0.796 . . . . 0.0 111.259 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -136.84 157.49 46.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.886 -1.134 . . . . 0.0 110.23 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.53 92.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -59.02 -19.24 41.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.415 -1.428 . . . . 0.0 111.2 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -77.86 -34.26 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.367 . . . . 0.0 107.572 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.93 -34.49 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.06 -42.0 94.81 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.96 -45.49 92.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.947 -1.325 . . . . 0.0 109.096 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -39.97 87.79 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.313 -0.867 . . . . 0.0 109.016 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.8 -38.64 80.1 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.43 -26.84 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.235 -0.915 . . . . 0.0 111.171 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.91 15.96 7.68 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.909 -1.12 . . . . 0.0 110.642 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? 50.8 33.22 8.16 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.027 -1.045 . . . . 0.0 110.835 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.486 -0.758 . . . . 0.0 111.013 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.22 117.32 10.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.417 -1.427 . . . . 0.0 108.46 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.06 -40.55 94.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.361 -0.837 . . . . 0.0 113.198 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.93 -39.27 76.22 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.311 -1.493 . . . . 0.0 110.675 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.93 -39.32 76.18 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.199 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.44 -49.52 71.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.897 . . . . 0.0 109.53 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.99 -47.19 86.83 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.74 -37.11 86.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.978 -1.076 . . . . 0.0 109.279 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' A' ' 66' ' ' THR . 53.6 t90 -67.94 -42.78 80.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.38 -46.29 67.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.07 . . . . 0.0 110.699 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.08 -48.9 78.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 0.0 110.533 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.85 -24.87 63.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 0.0 109.736 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 29.1 m -80.2 -34.22 37.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.163 -0.961 . . . . 0.0 110.934 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.533 ' HG ' ' H ' ' A' ' 69' ' ' ALA . 25.6 p -133.06 -27.86 1.59 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.589 -1.319 . . . . 0.0 111.861 -178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.85 13.81 26.57 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.533 ' H ' ' HG ' ' A' ' 67' ' ' CYS . . . -52.7 154.29 2.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.105 -1.232 . . . . 0.0 109.084 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.52 173.61 7.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.048 . . . . 0.0 110.343 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.02 74.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.688 -0.632 . . . . 0.0 110.431 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.76 -40.95 72.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.72 -1.237 . . . . 0.0 110.034 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.39 -38.63 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.352 -0.842 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -67.63 -38.07 83.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.184 -0.947 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -37.55 80.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.731 -1.231 . . . . 0.0 109.481 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.82 -39.94 83.86 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.709 -1.244 . . . . 0.0 110.785 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.8 -40.01 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.806 -1.184 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.48 -60.49 3.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.621 -1.3 . . . . 0.0 110.322 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.52 -31.55 74.99 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.53 -49.85 56.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.94 -1.329 . . . . 0.0 109.746 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.35 -40.04 70.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.97 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 -62.94 -40.55 98.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.929 -1.107 . . . . 0.0 110.461 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 93.5 mt-10 -70.07 -38.5 75.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.165 -0.959 . . . . 0.0 110.544 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 89.6 t90 -62.39 -45.62 92.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.77 -1.206 . . . . 0.0 109.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.23 -40.1 89.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.332 -0.855 . . . . 0.0 109.571 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.2 -29.02 65.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 109.726 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.18 -34.46 12.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.202 -0.936 . . . . 0.0 110.974 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 -111.64 -9.99 14.12 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.504 2.249 0 O-C-N 120.156 -1.59 . . . . 0.0 109.488 -179.52 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 77.3 p -87.83 0.03 56.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.289 -0.882 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 44.6 p -71.94 159.7 33.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 108.941 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 37.1 t -78.39 164.93 24.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.204 -0.935 . . . . 0.0 109.657 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.01 -25.41 65.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.896 -0.502 . . . . 0.0 110.156 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.49 -35.61 76.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.059 -1.025 . . . . 0.0 110.258 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 46.3 t60 -59.76 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.746 -1.221 . . . . 0.0 110.102 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -69.91 -34.32 73.34 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 110.255 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.08 -37.44 75.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.7 -46.68 87.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.805 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.67 15.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.253 -0.904 . . . . 0.0 110.474 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.97 -9.62 14.0 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.37 153.88 29.88 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.01 -1.056 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.68 160.69 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.908 1.739 . . . . 0.0 111.565 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -90.6 -24.84 20.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.013 -1.054 . . . . 0.0 109.661 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.83 30.59 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.49 29.93 6.12 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.406 -1.055 . . . . 0.0 110.593 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -60.52 148.68 80.31 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.756 -1.215 . . . . 0.0 108.271 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 155.93 67.83 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.14 1.893 . . . . 0.0 112.478 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.5 p -53.78 -47.07 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.57 -0.706 . . . . 0.0 110.823 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.73 -3.93 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.495 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.0 t -81.32 -19.9 41.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.857 -1.378 . . . . 0.0 109.089 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.4 138.68 58.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.773 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.21 57.18 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.541 0.686 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 -19.98 52.3 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mm -98.93 114.19 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.111 -1.229 . . . . 0.0 107.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.69 179.59 38.64 Favored Glycine 0 N--CA 1.495 2.592 0 O-C-N 120.625 -1.297 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.537 -0.978 . . . . 0.0 110.119 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.28 -48.19 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.88 -1.137 . . . . 0.0 109.527 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.35 -37.48 85.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.264 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.4 -39.21 94.51 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.98 -39.99 95.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -1.043 . . . . 0.0 110.132 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -65.94 -47.43 74.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.784 -1.198 . . . . 0.0 109.428 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 -39.96 95.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.206 -0.934 . . . . 0.0 109.164 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.06 -41.11 91.63 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.519 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.28 -19.5 65.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -90.26 0.59 57.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.526 -0.734 . . . . 0.0 111.018 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.27 4.68 40.86 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 120.819 -1.176 . . . . 0.0 111.706 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.96 73.7 1.08 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.79 -1.418 . . . . 0.0 108.284 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.16 -10.01 59.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.439 -0.788 . . . . 0.0 111.315 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.86 157.48 46.65 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.895 -1.128 . . . . 0.0 110.232 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.43 92.28 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -58.96 -19.41 42.87 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.369 -1.457 . . . . 0.0 111.1 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -77.9 -34.16 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.519 -1.363 . . . . 0.0 107.514 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.99 -34.46 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.01 -39.29 85.3 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.07 94.5 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.98 -45.53 92.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.943 -1.328 . . . . 0.0 109.021 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.386 -0.821 . . . . 0.0 109.06 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.75 -38.73 80.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.727 -0.789 . . . . 0.0 108.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.39 -26.74 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -89.03 16.12 7.58 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.868 -1.145 . . . . 0.0 110.579 -178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 50.56 33.34 7.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.913 -1.117 . . . . 0.0 110.813 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.0 19.98 9.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.612 -0.68 . . . . 0.0 111.024 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.24 117.28 10.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.358 -1.464 . . . . 0.0 108.434 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.98 -40.75 95.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.397 -0.814 . . . . 0.0 113.16 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.66 -39.32 77.13 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.375 -1.453 . . . . 0.0 110.776 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.97 -39.2 76.11 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.282 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -64.54 -49.47 71.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 109.53 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.1 -47.32 86.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.415 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.57 -37.12 86.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.053 -1.029 . . . . 0.0 109.314 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.457 ' O ' ' OG1' ' B' ' 66' ' ' THR . 52.8 t90 -68.03 -42.63 80.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.55 -46.3 66.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.902 -1.124 . . . . 0.0 110.578 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.0 -48.93 78.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.038 -1.039 . . . . 0.0 110.562 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.82 -24.91 63.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.697 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 29.4 m -80.25 -34.27 37.26 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.199 -0.938 . . . . 0.0 110.947 -178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.539 ' HG ' ' H ' ' B' ' 69' ' ' ALA . 25.5 p -132.95 -27.93 1.6 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.58 -1.325 . . . . 0.0 111.783 -178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.9 13.91 26.25 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . 0.539 ' H ' ' HG ' ' B' ' 67' ' ' CYS . . . -52.76 154.33 2.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.019 -1.283 . . . . 0.0 109.107 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.6 173.55 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.045 -1.034 . . . . 0.0 110.379 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.99 74.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.631 -0.668 . . . . 0.0 110.536 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.8 -40.93 72.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.712 -1.243 . . . . 0.0 110.049 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.5 -38.46 84.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.419 -0.801 . . . . 0.0 110.892 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -67.73 -38.06 83.05 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.13 -0.981 . . . . 0.0 110.447 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.13 -37.35 79.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.776 -1.202 . . . . 0.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.01 -40.01 83.06 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.776 -1.203 . . . . 0.0 110.731 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.67 -40.13 80.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.814 -1.179 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.44 -60.4 3.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.656 -1.277 . . . . 0.0 110.362 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -31.58 75.55 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -68.52 -49.76 57.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.017 -1.284 . . . . 0.0 109.753 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -71.34 -40.07 70.93 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.945 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 82' ' ' ARG . 35.9 ttt-85 -63.04 -40.55 98.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.989 -1.069 . . . . 0.0 110.418 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 93.4 mt-10 -69.95 -38.53 76.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.103 -0.998 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 89.8 t90 -62.48 -45.56 92.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.681 -1.262 . . . . 0.0 109.259 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' B' ' 89' ' ' LEU . 93.9 m -60.15 -40.09 88.65 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.258 -0.901 . . . . 0.0 109.594 -178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.29 -28.92 65.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.16 -34.45 12.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.203 -0.936 . . . . 0.0 111.015 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -111.63 -10.08 14.12 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -176.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 85' ' ' CYS . 21.8 tp . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.157 -1.589 . . . . 0.0 109.464 -179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.293 0.568 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 m -90.46 133.02 35.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.286 -0.884 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.2 p -74.68 157.33 35.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.8 p -79.45 169.3 18.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.204 -0.935 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.96 -23.94 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.745 -0.597 . . . . 0.0 110.687 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.8 -38.42 88.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.806 -1.184 . . . . 0.0 108.909 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.99 -52.4 65.53 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.166 -0.959 . . . . 0.0 110.284 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -69.95 -33.31 71.95 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.964 -1.085 . . . . 0.0 110.311 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -64.59 -39.98 94.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.949 -1.094 . . . . 0.0 108.539 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.12 -46.8 85.61 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.776 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.1 m -93.06 7.79 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 120.928 -1.108 . . . . 0.0 111.4 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.09 -20.73 17.17 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.945 -1.097 . . . . 0.0 108.808 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -149.47 151.17 32.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.26 160.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.786 1.658 . . . . 0.0 111.85 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ptp -89.31 -27.37 20.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.976 . . . . 0.0 109.457 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.91 -139.95 35.65 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.08 31.4 4.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.486 -1.008 . . . . 0.0 110.058 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.01 148.09 78.27 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.069 -1.019 . . . . 0.0 108.404 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.77 155.68 65.98 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.453 2.102 . . . . 0.0 112.808 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.08 -39.0 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.598 -0.689 . . . . 0.0 110.4 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.35 -3.4 9.26 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -80.8 -17.46 50.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.041 -1.27 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.28 133.16 52.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.36 -0.838 . . . . 0.0 109.55 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 137.43 58.24 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.907 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.3 -20.15 51.06 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 26' ' ' ILE . 31.7 mm -100.01 120.0 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 121.183 -1.187 . . . . 0.0 108.619 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.9 177.0 39.79 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 120.713 -1.242 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -40.02 82.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.606 -0.938 . . . . 0.0 111.097 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -43.76 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.722 -1.236 . . . . 0.0 109.471 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.62 -37.64 82.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.306 -0.872 . . . . 0.0 109.38 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.91 96.19 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -63.66 -38.15 90.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -1.15 . . . . 0.0 110.348 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.87 -44.16 81.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.757 -1.214 . . . . 0.0 109.92 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.21 -39.47 94.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.95 -1.094 . . . . 0.0 109.156 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -42.2 93.88 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.769 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.72 -19.37 65.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 108.839 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 37' ' ' ARG . 34.5 mtt-85 -89.98 1.86 55.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.398 -0.814 . . . . 0.0 110.458 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.59 4.6 49.22 Favored Glycine 0 N--CA 1.502 3.081 0 O-C-N 121.128 -0.983 . . . . 0.0 111.833 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.01 74.3 1.3 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.822 -1.399 . . . . 0.0 108.572 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -82.36 -12.66 57.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.391 -0.818 . . . . 0.0 110.294 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.58 149.86 50.45 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.228 -0.92 . . . . 0.0 109.555 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.04 94.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.54 -0.725 . . . . 0.0 111.22 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -58.86 -18.97 37.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.215 . . . . 0.0 111.327 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.79 -32.61 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.422 -1.424 . . . . 0.0 107.321 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.91 -34.88 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 tp -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.05 -41.62 98.08 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.23 -40.16 89.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.921 -1.341 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -38.98 81.65 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.29 -30.49 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.326 -0.859 . . . . 0.0 110.73 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.75 13.8 9.86 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.969 -1.082 . . . . 0.0 110.299 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 49.91 35.83 10.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.892 -1.13 . . . . 0.0 109.745 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 60.11 20.91 10.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.563 -0.711 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -67.57 111.81 4.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.54 -1.35 . . . . 0.0 108.007 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.01 -40.02 94.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.343 -0.848 . . . . 0.0 112.704 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.4 m-20 -67.97 -39.98 83.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.531 -1.356 . . . . 0.0 109.905 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.02 -39.03 76.04 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.415 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.86 -46.35 82.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.6 mtm180 -60.04 -46.44 89.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.036 -1.04 . . . . 0.0 111.313 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -64.47 -36.05 82.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.694 -1.254 . . . . 0.0 109.051 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.456 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -62.44 -49.53 75.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -49.24 62.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.005 -1.06 . . . . 0.0 110.59 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.12 -47.21 83.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.933 . . . . 0.0 109.936 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.0 t0 -67.91 -27.6 66.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.535 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 22.5 m -78.98 -37.06 40.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 111.472 -178.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.32 -23.59 2.65 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.629 -1.294 . . . . 0.0 112.275 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 13.33 30.31 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 155.43 2.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.188 -1.183 . . . . 0.0 109.448 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -88.01 169.65 11.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.987 -1.071 . . . . 0.0 109.467 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -28.29 69.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.434 -0.791 . . . . 0.0 110.683 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.14 -42.41 72.59 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.807 -1.183 . . . . 0.0 110.402 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.895 . . . . 0.0 110.748 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.26 -39.12 89.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.898 -1.126 . . . . 0.0 110.303 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -59.92 -38.86 83.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.811 -1.181 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.82 -38.21 79.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.866 -1.147 . . . . 0.0 110.568 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.36 -39.91 81.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.823 -1.173 . . . . 0.0 109.496 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.94 -60.41 3.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.026 -1.046 . . . . 0.0 109.975 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.37 -33.23 83.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.0 t -68.77 -49.15 61.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.997 -1.296 . . . . 0.0 109.727 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.385 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -62.39 -40.86 97.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 110.275 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.09 -36.69 80.2 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.031 -1.043 . . . . 0.0 109.825 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.501 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 68.0 t90 -59.82 -43.37 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.66 -1.275 . . . . 0.0 107.659 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 m -61.59 -40.63 95.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.418 -0.801 . . . . 0.0 108.84 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.36 -39.56 87.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.49 -38.82 16.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.142 -0.974 . . . . 0.0 110.674 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.53 -85.5 0.47 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.201 -0.937 . . . . 0.0 110.517 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.936 -1.102 . . . . 0.0 109.323 -179.656 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 21.8 m -89.92 132.9 35.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.254 -0.904 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 79.8 p -74.55 157.32 35.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 92.2 p -79.32 169.34 18.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.88 -24.18 66.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.69 -0.631 . . . . 0.0 110.675 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.58 -38.44 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.854 -1.154 . . . . 0.0 109.027 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -59.98 -52.44 65.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.031 -1.043 . . . . 0.0 110.313 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.0 -33.21 71.73 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.978 -1.076 . . . . 0.0 110.241 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.75 -40.13 94.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.972 -1.08 . . . . 0.0 108.392 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.62 -46.93 85.98 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.901 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -93.38 8.34 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.824 -1.172 . . . . 0.0 111.501 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.39 -20.99 16.83 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.018 -1.051 . . . . 0.0 108.665 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -149.33 151.16 33.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.29 160.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.79 1.66 . . . . 0.0 111.807 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -89.56 -26.92 20.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.131 -0.98 . . . . 0.0 109.509 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.43 -140.23 33.3 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -104.73 31.41 4.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.503 -0.998 . . . . 0.0 110.196 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.98 148.24 77.67 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 120.994 -1.067 . . . . 0.0 108.399 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.73 155.65 66.01 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.426 2.084 . . . . 0.0 112.884 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.08 -39.09 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.68 -0.638 . . . . 0.0 110.307 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.3 -3.04 8.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -81.16 -17.62 49.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.328 . . . . 0.0 108.895 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.24 133.05 52.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.825 . . . . 0.0 109.57 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.58 136.93 58.19 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.043 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.73 -19.89 51.59 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 26' ' ' ILE . 32.0 mm -100.14 119.98 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.223 -1.163 . . . . 0.0 108.501 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.82 176.94 39.86 Favored Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.754 -1.216 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.73 -39.96 82.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.919 . . . . 0.0 111.105 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -44.02 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.712 -1.242 . . . . 0.0 109.398 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.43 -37.51 83.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.39 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.03 96.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -63.53 -38.6 91.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.205 -1.174 . . . . 0.0 110.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.11 -39.44 94.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.258 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.848 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.73 -19.48 65.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 0.0 108.805 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' B' ' 37' ' ' ARG . 34.4 mtt-85 -90.02 2.52 55.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.442 -0.786 . . . . 0.0 110.413 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.07 4.61 50.85 Favored Glycine 0 N--CA 1.502 3.088 0 C-N-CA 120.224 -0.989 . . . . 0.0 111.868 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.22 74.66 1.3 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.903 -1.351 . . . . 0.0 108.546 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -82.88 -12.36 57.46 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.304 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.7 150.08 50.41 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.228 -0.92 . . . . 0.0 109.558 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.65 92.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.556 -0.715 . . . . 0.0 111.211 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -59.15 -19.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.77 -1.206 . . . . 0.0 111.297 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.67 -32.05 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.517 -1.364 . . . . 0.0 107.408 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -78.28 -34.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 21.9 tp -59.98 -37.87 80.91 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.77 98.03 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.951 -1.323 . . . . 0.0 109.039 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.96 -39.95 87.36 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -39.46 81.51 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.81 -30.3 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.417 -0.802 . . . . 0.0 110.816 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -88.1 14.33 9.38 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.106 -0.996 . . . . 0.0 110.31 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 49.6 35.87 9.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.839 -1.163 . . . . 0.0 109.638 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 60.03 20.29 9.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.97 111.89 4.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.536 -1.352 . . . . 0.0 107.934 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.15 -40.17 94.0 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.307 -0.87 . . . . 0.0 112.652 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.3 m-20 -67.76 -39.86 84.13 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.404 -1.435 . . . . 0.0 109.969 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.96 -38.98 76.27 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.434 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -65.1 -46.21 81.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.7 mtm180 -59.98 -47.12 87.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.653 -1.279 . . . . 0.0 109.231 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.463 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.2 t90 -62.72 -49.25 75.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 111.464 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -68.18 -49.54 60.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.119 -0.988 . . . . 0.0 110.5 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.78 -47.32 84.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.112 -0.993 . . . . 0.0 109.959 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.88 -27.6 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 22.4 m -79.03 -37.04 40.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 111.452 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.16 -24.07 2.64 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.64 -1.288 . . . . 0.0 112.288 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.91 13.89 28.23 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.62 155.47 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -1.187 . . . . 0.0 109.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -87.99 169.63 11.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.986 -1.071 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.0 69.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.433 -0.792 . . . . 0.0 110.645 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.34 -42.49 71.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.848 -1.158 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.02 -36.58 82.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 0.0 110.797 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.52 -38.91 88.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.036 -1.04 . . . . 0.0 110.283 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.0 -38.57 83.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.738 -1.226 . . . . 0.0 109.563 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.13 -38.57 78.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.72 -1.238 . . . . 0.0 110.515 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -67.98 -40.05 83.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.846 -1.159 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.88 -60.27 4.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.968 -1.082 . . . . 0.0 110.09 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.06 83.48 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.82 -49.19 60.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.984 -1.303 . . . . 0.0 109.749 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.26 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.6 -40.44 96.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.152 -0.967 . . . . 0.0 110.256 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.044 -1.035 . . . . 0.0 109.809 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.51 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 68.0 t90 -59.95 -43.23 95.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.687 -1.258 . . . . 0.0 107.716 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 m -61.73 -40.59 95.62 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.67 -39.03 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.57 -0.706 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.81 -39.03 16.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 110.595 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -104.31 -85.84 0.46 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.423 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.331 -179.538 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.8 p -75.18 160.03 30.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.442 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -72.54 159.74 33.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.224 -0.922 . . . . 0.0 109.445 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -70.86 159.29 34.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.665 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.06 -25.35 65.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.733 -0.605 . . . . 0.0 110.812 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -60.04 -38.91 84.14 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.811 -1.181 . . . . 0.0 109.903 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.492 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.7 t60 -59.61 -51.83 68.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -70.02 -33.95 72.66 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.916 -1.115 . . . . 0.0 109.982 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -71.1 -38.49 72.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.552 -0.718 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.93 -41.33 82.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.0 110.236 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.47 13.4 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 109.558 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.48 -9.3 13.82 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.497 -0.752 . . . . 0.0 110.882 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.52 153.85 28.52 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 120.862 -1.149 . . . . 0.0 109.276 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.74 160.35 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.829 1.686 . . . . 0.0 111.478 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.8 ptp -88.54 -20.96 24.39 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.8 -140.02 16.73 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -102.4 27.58 6.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.403 -1.057 . . . . 0.0 110.719 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -60.43 149.88 75.54 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.887 -1.133 . . . . 0.0 108.697 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 159.99 51.31 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.338 2.025 . . . . 0.0 112.493 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 22' ' ' SER . 3.1 p -55.01 -47.57 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.656 -0.653 . . . . 0.0 110.556 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.0 -4.12 0.15 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 20' ' ' VAL . 14.8 t -82.91 -21.43 34.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.738 -1.448 . . . . 0.0 109.607 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 136.37 57.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.459 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 138.84 58.67 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.674 0.75 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.07 -16.51 60.78 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -100.91 116.66 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.352 -1.087 . . . . 0.0 108.315 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.71 178.24 37.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -59.45 -40.12 85.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -1.079 . . . . 0.0 110.215 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.09 -45.72 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.882 -1.136 . . . . 0.0 108.992 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.25 -37.05 86.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.503 -0.748 . . . . 0.0 109.279 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.96 95.42 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.01 -40.03 95.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -1.175 . . . . 0.0 110.419 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.94 -48.82 67.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.761 -1.212 . . . . 0.0 109.664 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.37 -40.01 92.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.994 -1.066 . . . . 0.0 109.221 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -41.26 91.78 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.623 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.53 -19.4 64.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 109.112 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -90.02 -0.01 57.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.53 -0.731 . . . . 0.0 110.33 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.66 3.61 43.19 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.023 -1.048 . . . . 0.0 111.887 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.75 75.06 1.27 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.827 -1.396 . . . . 0.0 108.148 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -82.22 -10.42 59.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 111.131 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.7 159.27 42.53 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.937 -1.102 . . . . 0.0 110.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.33 88.96 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.36 -20.08 58.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 111.652 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.47 -33.46 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.407 -1.433 . . . . 0.0 107.503 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.11 -38.39 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.0 -39.88 87.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.33 -47.3 56.47 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -60.76 -42.96 98.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.068 -1.254 . . . . 0.0 109.596 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.01 -41.29 91.83 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.208 -0.932 . . . . 0.0 108.792 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.49 -37.88 83.52 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.12 -25.58 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 14.11 10.5 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.949 -1.094 . . . . 0.0 110.242 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.0 36.68 8.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.894 -1.129 . . . . 0.0 110.396 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.04 20.4 9.55 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.437 -0.789 . . . . 0.0 110.841 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.54 114.56 5.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.22 -1.55 . . . . 0.0 108.207 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.48 -42.37 92.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.368 -0.832 . . . . 0.0 112.77 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.7 m-20 -68.74 -39.78 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.561 -1.337 . . . . 0.0 110.061 -178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.03 -38.79 75.98 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.015 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.08 -48.01 77.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.0 109.845 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.8 mtm180 -60.06 -46.94 87.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.267 -0.896 . . . . 0.0 111.334 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.09 -35.68 81.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.66 -1.275 . . . . 0.0 109.238 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.455 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.9 t90 -61.64 -49.22 77.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 111.512 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.09 -45.1 74.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.813 -1.179 . . . . 0.0 110.37 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.66 -49.18 76.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.012 -1.055 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 29.8 t0 -67.15 -29.63 69.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.524 -0.735 . . . . 0.0 109.42 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.8 m -76.63 -35.57 57.95 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.512 -0.742 . . . . 0.0 111.004 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.19 -31.4 1.12 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.676 -1.265 . . . . 0.0 112.243 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.74 17.65 8.97 Favored Glycine 0 N--CA 1.503 3.132 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 153.53 2.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.093 -1.24 . . . . 0.0 109.453 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.29 170.64 10.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.062 -1.024 . . . . 0.0 109.843 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.44 70.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.532 -0.73 . . . . 0.0 110.998 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.49 -41.41 66.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.877 -1.139 . . . . 0.0 110.695 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -38.12 85.11 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.23 -0.919 . . . . 0.0 110.746 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.8 m -66.19 -36.79 84.01 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.946 . . . . 0.0 109.737 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -60.07 -38.96 84.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.977 -1.077 . . . . 0.0 109.491 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -68.43 -39.93 81.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.794 -1.191 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.94 -39.94 79.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.689 -1.257 . . . . 0.0 109.85 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -60.41 3.86 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.727 -1.233 . . . . 0.0 110.136 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.63 81.91 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.65 -44.97 72.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.282 . . . . 0.0 109.821 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.92 -39.03 76.38 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.936 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.37 -40.58 91.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 0.0 110.016 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 98.2 mt-10 -69.96 -39.16 76.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.207 -0.933 . . . . 0.0 110.92 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.6 t90 -61.82 -46.92 87.41 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.393 -1.442 . . . . 0.0 108.402 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 89' ' ' LEU . 34.7 m -60.1 -40.04 88.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -0.824 . . . . 0.0 109.839 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.48 -31.9 69.77 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.134 -0.979 . . . . 0.0 110.05 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.65 -31.71 15.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.163 -0.961 . . . . 0.0 110.718 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 89.1 m-85 -110.92 2.03 17.9 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.258 -0.901 . . . . 0.0 111.913 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 109.399 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -75.15 160.0 30.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.106 -0.996 . . . . 0.0 109.418 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -72.5 159.63 33.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 109.452 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -70.79 159.29 34.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.694 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.04 -25.22 65.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.749 -0.594 . . . . 0.0 110.873 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -60.08 -38.94 84.39 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.749 -1.219 . . . . 0.0 109.841 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.6 t60 -59.65 -51.87 67.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.071 -1.018 . . . . 0.0 110.819 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -70.15 -33.7 72.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.87 -1.144 . . . . 0.0 109.873 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.29 -38.15 71.8 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.517 -0.74 . . . . 0.0 110.115 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -68.27 -41.14 81.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.149 -0.969 . . . . 0.0 110.278 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.64 13.2 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.021 -1.049 . . . . 0.0 109.521 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.28 -9.17 13.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.763 . . . . 0.0 110.781 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -154.59 153.92 28.54 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.735 -1.228 . . . . 0.0 109.369 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -43.75 160.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.472 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 7.9 ptp -88.45 -21.0 24.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.982 -1.074 . . . . 0.0 109.709 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.99 -140.04 17.75 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -102.44 27.93 6.4 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.491 -1.006 . . . . 0.0 110.592 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -60.74 149.9 77.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.849 -1.157 . . . . 0.0 108.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.72 159.94 51.58 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.328 2.018 . . . . 0.0 112.521 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -55.02 -47.51 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.684 -0.635 . . . . 0.0 110.556 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.1 -4.22 0.17 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.515 ' H ' ' C ' ' B' ' 20' ' ' VAL . 15.1 t -82.69 -21.43 34.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.716 -1.461 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.48 136.54 57.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -0.997 . . . . 0.0 109.49 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.608 0.718 . . . . 0.0 109.698 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 -16.66 60.39 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 26' ' ' ILE . 38.5 mm -100.9 116.58 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.328 -1.101 . . . . 0.0 108.32 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.72 178.33 37.86 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.51 -40.04 85.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -1.086 . . . . 0.0 110.362 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.17 -45.68 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 108.995 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.27 -37.0 85.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.456 -0.777 . . . . 0.0 109.301 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.45 -40.04 95.65 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.92 -39.89 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -1.105 . . . . 0.0 110.483 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.97 -48.58 68.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.621 -1.299 . . . . 0.0 109.809 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.58 -39.88 92.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.856 -1.152 . . . . 0.0 109.194 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -41.23 91.93 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.611 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.6 -19.28 64.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.295 -0.878 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.98 -0.1 57.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.756 . . . . 0.0 110.329 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.51 3.55 43.69 Favored Glycine 0 N--CA 1.504 3.223 0 O-C-N 121.08 -1.012 . . . . 0.0 111.89 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.57 74.9 1.28 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.794 -1.415 . . . . 0.0 108.225 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -81.87 -10.78 59.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.469 -0.77 . . . . 0.0 111.132 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.42 159.12 42.87 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.62 88.01 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.01 -20.15 56.29 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.418 -1.426 . . . . 0.0 111.63 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.42 -33.67 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.343 -1.473 . . . . 0.0 107.551 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.95 -38.27 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.56 -46.81 58.48 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.98 -42.97 99.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.54 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -60.1 -41.3 92.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.918 . . . . 0.0 108.781 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.44 -37.96 83.81 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.06 -25.73 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.327 -0.858 . . . . 0.0 110.674 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.32 14.01 10.42 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.866 -1.146 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 48.99 36.8 9.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.854 -1.154 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 59.88 20.55 9.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.444 -0.785 . . . . 0.0 110.866 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -66.66 114.27 5.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.284 -1.51 . . . . 0.0 108.262 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.25 -42.14 93.61 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.819 . . . . 0.0 112.827 -178.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.4 m-20 -68.96 -39.95 79.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.592 -1.318 . . . . 0.0 110.064 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.8 -38.91 76.79 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.085 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.91 -48.03 78.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.815 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.6 mtm180 -60.06 -46.7 88.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 111.467 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.2 -36.0 82.65 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.749 -1.22 . . . . 0.0 109.285 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.449 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -61.39 -49.27 77.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.133 -0.98 . . . . 0.0 111.58 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.02 -44.98 75.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.906 -1.122 . . . . 0.0 110.427 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.78 -49.13 76.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.325 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.9 t0 -67.15 -29.81 69.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.454 -0.779 . . . . 0.0 109.409 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 52.5 m -76.44 -35.92 58.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.409 -0.807 . . . . 0.0 111.005 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.02 -31.42 1.14 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.652 -1.28 . . . . 0.0 112.302 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.88 17.33 9.11 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.17 153.59 2.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.44 170.71 10.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.111 -0.993 . . . . 0.0 109.855 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.52 70.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.499 -0.75 . . . . 0.0 110.868 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.53 -41.27 66.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.937 -1.102 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.0 -38.3 85.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.862 . . . . 0.0 110.742 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -66.0 -36.8 84.27 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.186 -0.946 . . . . 0.0 109.784 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -60.04 -38.94 84.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.947 -1.096 . . . . 0.0 109.57 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.33 -39.91 81.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.782 -1.199 . . . . 0.0 110.822 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.98 -40.06 79.04 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.704 -1.247 . . . . 0.0 109.77 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.98 -60.45 3.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.657 -1.277 . . . . 0.0 110.092 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.39 -32.74 82.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.54 -45.08 73.12 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.255 . . . . 0.0 109.79 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.03 -39.05 75.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.977 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.18 -40.69 90.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.951 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.49 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 98.3 mt-10 -69.99 -39.14 76.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.823 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.1 t90 -61.58 -47.16 86.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.415 -1.428 . . . . 0.0 108.399 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' B' ' 89' ' ' LEU . 35.5 m -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.465 -0.772 . . . . 0.0 109.951 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.44 -32.0 69.81 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.165 -0.959 . . . . 0.0 110.058 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.55 -31.64 15.13 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.149 -0.969 . . . . 0.0 110.803 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 89.0 m-85 -111.13 2.32 17.79 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.266 -0.896 . . . . 0.0 111.779 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.2 tp . . . . . 0 N--CA 1.501 2.075 0 O-C-N 120.731 -1.23 . . . . 0.0 109.375 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -64.41 138.42 58.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.507 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.2 p -77.78 169.22 18.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.272 -0.893 . . . . 0.0 109.858 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.5 p -70.08 163.34 26.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.678 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.87 -20.3 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.738 -0.601 . . . . 0.0 110.053 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -64.45 -37.21 86.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.121 -0.987 . . . . 0.0 109.173 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.02 -51.31 70.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 110.75 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -69.94 -32.0 70.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.165 -0.96 . . . . 0.0 109.818 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -72.56 -39.68 67.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.458 -0.776 . . . . 0.0 110.446 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.74 -40.0 84.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 110.285 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.98 17.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.058 . . . . 0.0 110.02 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.41 -5.35 9.85 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.411 -0.806 . . . . 0.0 110.593 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.76 150.04 22.23 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.733 -1.229 . . . . 0.0 109.789 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -41.94 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.195 1.93 . . . . 0.0 111.867 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.8 ptp -92.47 -21.15 20.33 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.072 -1.018 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.97 -139.96 32.06 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -104.8 32.26 4.26 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.478 -1.013 . . . . 0.0 109.906 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.07 149.65 73.62 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.979 -1.076 . . . . 0.0 109.296 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.31 156.95 64.04 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.09 -41.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.539 -0.726 . . . . 0.0 110.379 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.43 -4.38 9.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t -81.55 -21.4 38.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.706 -1.467 . . . . 0.0 109.195 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.33 141.04 58.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.699 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 135.17 56.59 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.712 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.42 -22.84 34.86 Favored Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 26' ' ' ILE . 25.6 mm -98.76 120.02 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.013 -1.286 . . . . 0.0 108.695 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.42 178.2 38.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.5 -40.04 81.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -1.135 . . . . 0.0 109.982 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.63 -45.78 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.419 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.87 -36.84 84.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 109.521 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.44 95.66 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.73 -39.91 95.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -1.099 . . . . 0.0 110.725 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -66.99 -48.92 66.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.637 -1.289 . . . . 0.0 110.181 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.42 -39.7 88.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.058 -1.026 . . . . 0.0 108.908 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.96 -45.77 91.58 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.814 -0.755 . . . . 0.0 109.955 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.76 -19.08 65.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.12 -0.988 . . . . 0.0 108.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 37' ' ' ARG . 30.2 mtt-85 -89.66 0.94 56.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 110.586 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.71 3.31 43.13 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.086 -1.009 . . . . 0.0 111.837 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.42 74.58 1.18 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.79 -1.418 . . . . 0.0 108.149 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -82.2 -9.98 59.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.79 . . . . 0.0 110.553 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.92 156.84 48.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.197 -0.939 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -60.87 -19.33 60.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.376 -1.453 . . . . 0.0 111.642 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.3 t -78.08 -32.69 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.357 -1.465 . . . . 0.0 107.379 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.9 -38.16 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.89 -40.4 96.78 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -41.12 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.017 -1.284 . . . . 0.0 108.711 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.99 -40.04 87.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.29 -38.74 81.98 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.92 -30.65 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.391 -0.818 . . . . 0.0 110.144 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.46 15.51 7.79 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.23 33.14 6.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.901 -1.125 . . . . 0.0 110.147 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 60.68 20.1 10.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.853 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -66.28 115.77 6.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.562 -1.337 . . . . 0.0 107.998 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.1 tt0 -66.79 -40.94 88.3 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.134 -0.979 . . . . 0.0 112.985 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.93 -40.03 79.25 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.69 -1.256 . . . . 0.0 109.628 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.95 -38.39 76.11 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.41 -47.18 83.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.481 -0.762 . . . . 0.0 109.819 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 99.0 mtt180 -59.96 -46.16 90.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.367 -0.833 . . . . 0.0 111.307 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.36 -36.47 83.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.594 -1.316 . . . . 0.0 108.931 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -63.66 -46.64 84.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.277 -0.889 . . . . 0.0 110.699 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.65 -47.64 68.97 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -59.98 -48.49 81.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 26.6 t0 -68.39 -31.8 71.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 0.0 109.717 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.2 m -75.49 -38.97 59.16 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.927 . . . . 0.0 111.824 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -133.47 -30.86 1.26 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.273 -1.517 . . . . 0.0 112.405 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.23 15.44 12.63 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.44 153.26 1.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.885 -1.362 . . . . 0.0 109.084 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.92 172.28 8.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.87 -1.144 . . . . 0.0 109.729 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.67 73.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.5 -39.96 70.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.921 -1.112 . . . . 0.0 109.625 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.75 -39.47 87.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.473 -0.767 . . . . 0.0 110.8 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 p -66.78 -38.57 86.8 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.063 -1.023 . . . . 0.0 109.969 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.01 -37.93 81.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.875 -1.141 . . . . 0.0 109.691 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -67.84 -38.82 83.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.642 -1.286 . . . . 0.0 110.608 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.822 -1.174 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.01 -59.68 5.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.627 -1.295 . . . . 0.0 110.128 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -59.99 -32.33 75.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.94 -50.87 45.51 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.201 -1.176 . . . . 0.0 109.694 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.89 -40.02 72.47 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.587 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.93 -40.83 94.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.042 -1.037 . . . . 0.0 110.386 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -69.99 -38.62 76.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.738 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.5 t90 -60.18 -46.29 90.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.358 -1.464 . . . . 0.0 108.405 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.04 -40.03 87.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.0 109.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.96 -35.2 74.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.401 -0.812 . . . . 0.0 110.394 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -34.95 18.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.968 -1.082 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.7 m-85 -105.11 -85.93 0.47 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.28 -0.887 . . . . 0.0 110.194 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.987 -1.071 . . . . 0.0 109.144 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.7 m -64.52 138.19 58.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -77.59 169.07 18.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -0.877 . . . . 0.0 109.859 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 86.1 p -70.03 163.42 26.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.352 -0.842 . . . . 0.0 109.667 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.88 -20.27 66.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.72 -0.612 . . . . 0.0 110.04 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -64.37 -37.22 86.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.035 -1.041 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.93 -51.29 70.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.935 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.05 -31.9 69.75 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -72.63 -39.64 67.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -67.84 -39.95 83.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.306 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.3 m -83.06 17.86 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.45 -5.44 9.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.376 -0.828 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.69 150.05 22.36 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.786 -1.196 . . . . 0.0 109.744 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.01 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.243 1.962 . . . . 0.0 111.817 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.9 ptp -92.62 -20.8 20.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.045 -1.034 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.53 -139.94 30.2 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.75 32.5 4.09 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.437 -1.037 . . . . 0.0 109.888 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.43 149.84 75.7 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.972 -1.08 . . . . 0.0 109.291 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.41 156.85 64.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.574 2.183 . . . . 0.0 112.593 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -55.02 -41.7 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.473 -0.767 . . . . 0.0 110.37 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.3 -4.37 8.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -81.67 -21.17 38.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.735 -1.45 . . . . 0.0 109.276 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.49 141.04 58.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.245 -0.909 . . . . 0.0 109.684 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 135.16 56.54 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.663 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.39 -22.72 35.28 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.415 HD11 HG22 ' B' ' 26' ' ' ILE . 25.7 mm -98.77 120.07 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.998 -1.295 . . . . 0.0 108.583 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 178.22 38.16 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.65 -39.9 81.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.337 -1.096 . . . . 0.0 110.024 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.63 -45.84 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 109.431 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.77 -36.89 84.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 109.529 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.41 95.59 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.68 -40.09 95.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.687 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -66.83 -48.97 67.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.624 -1.297 . . . . 0.0 110.175 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.56 -39.42 87.9 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.035 -1.041 . . . . 0.0 108.954 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.08 -45.9 91.36 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.836 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.62 -19.12 65.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 108.962 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 37' ' ' ARG . 30.1 mtt-85 -89.47 0.74 56.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.166 -0.959 . . . . 0.0 110.667 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.87 3.37 42.58 Favored Glycine 0 N--CA 1.504 3.203 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.772 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -104.57 74.46 1.16 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.395 . . . . 0.0 108.125 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -81.98 -10.14 59.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.488 -0.757 . . . . 0.0 110.575 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.79 156.97 47.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.129 -0.982 . . . . 0.0 110.08 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.4 89.7 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -60.64 -19.62 58.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.358 -1.464 . . . . 0.0 111.655 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 51.0 t -78.08 -32.6 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.392 -1.442 . . . . 0.0 107.415 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.86 -38.23 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 46.8 tp -60.09 -39.08 84.87 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.88 -40.44 96.81 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -41.19 91.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.998 -1.295 . . . . 0.0 108.732 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.34 -38.66 81.72 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.01 -30.47 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 0.0 110.16 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.72 15.64 7.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.07 -1.019 . . . . 0.0 109.978 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.21 32.97 6.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.864 -1.147 . . . . 0.0 110.246 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 60.78 20.12 10.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.656 -0.653 . . . . 0.0 110.803 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.41 115.84 6.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.692 -1.255 . . . . 0.0 107.892 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.1 tt0 -66.84 -41.09 88.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.156 -0.965 . . . . 0.0 113.007 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.78 -39.94 79.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.811 -1.181 . . . . 0.0 109.671 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.97 -38.44 76.06 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.336 -0.946 . . . . 0.0 108.774 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.39 -47.08 83.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.449 -0.782 . . . . 0.0 109.894 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 99.0 mtt180 -60.03 -46.16 90.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 0.0 111.33 -178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.27 -36.66 84.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.695 -1.253 . . . . 0.0 108.922 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.463 ' O ' ' OG1' ' B' ' 66' ' ' THR . 63.6 t90 -63.54 -46.58 85.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 110.738 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.78 -47.57 68.8 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.094 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.08 -48.41 81.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 26.2 t0 -68.49 -31.66 71.1 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.691 -0.631 . . . . 0.0 109.676 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 52.6 m -75.47 -39.05 59.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.0 111.854 -177.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.0 p -133.41 -31.0 1.25 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.393 -1.442 . . . . 0.0 112.322 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.15 15.63 12.45 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.63 153.31 1.21 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.937 -1.331 . . . . 0.0 109.048 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.79 172.25 9.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.802 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.92 73.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.498 -0.751 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.41 -39.91 70.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.943 -1.098 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.72 -39.58 88.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.443 -0.785 . . . . 0.0 110.765 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 11.2 p -66.68 -38.52 86.96 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.122 -0.986 . . . . 0.0 110.055 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -59.96 -37.94 81.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.05 -38.57 82.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.649 -1.282 . . . . 0.0 110.593 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.42 -40.02 85.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.852 -1.155 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.01 -59.52 5.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.587 -1.321 . . . . 0.0 110.075 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -60.09 -32.29 75.5 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.09 -50.85 44.54 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.225 -1.162 . . . . 0.0 109.605 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.84 -40.02 72.62 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.559 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -61.14 -40.77 95.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.0 -1.062 . . . . 0.0 110.31 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.0 -38.69 76.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 110.612 -179.303 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.0 t90 -60.2 -46.14 90.74 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.358 -1.464 . . . . 0.0 108.482 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.414 -0.804 . . . . 0.0 109.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.0 -35.15 74.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.476 -0.765 . . . . 0.0 110.425 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.13 18.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.071 -1.018 . . . . 0.0 110.263 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.0 m-85 -104.87 -85.81 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.33 -0.856 . . . . 0.0 110.288 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.971 -1.081 . . . . 0.0 109.124 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m 51.86 -110.19 0.49 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.6 p -72.83 150.28 42.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.969 -1.082 . . . . 0.0 109.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -80.36 172.32 13.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.427 -0.796 . . . . 0.0 109.502 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.15 -25.36 68.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.667 -0.646 . . . . 0.0 109.982 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.67 -35.73 78.81 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.108 -0.995 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -59.59 -49.19 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.166 -0.959 . . . . 0.0 110.461 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -69.97 -31.73 69.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.953 -1.092 . . . . 0.0 109.772 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.92 -38.89 69.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -67.36 -39.95 85.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 110.211 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.76 16.78 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.326 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.68 -4.63 9.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.342 -0.849 . . . . 0.0 110.663 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.28 150.48 23.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.768 -1.207 . . . . 0.0 109.282 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -42.23 159.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.708 1.605 . . . . 0.0 111.472 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.39 -21.93 21.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.885 -1.134 . . . . 0.0 109.051 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.92 -137.38 27.89 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.39 33.57 4.25 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.653 -0.91 . . . . 0.0 110.272 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -60.02 150.01 71.71 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.108 -0.995 . . . . 0.0 109.045 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.2 152.42 81.3 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.216 1.944 . . . . 0.0 112.083 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.89 -40.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.535 -0.728 . . . . 0.0 110.419 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.52 -4.3 12.7 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -82.5 -22.66 34.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.792 -1.417 . . . . 0.0 109.2 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.19 139.2 58.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.967 . . . . 0.0 109.391 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 139.05 58.49 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.728 0.775 . . . . 0.0 110.208 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 94.04 -14.58 65.0 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 26' ' ' ILE . 33.9 mm -101.76 116.99 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.06 -1.259 . . . . 0.0 108.27 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 178.74 36.84 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.26 -39.87 80.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -1.012 . . . . 0.0 110.433 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.92 -47.39 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 120.834 -1.166 . . . . 0.0 109.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.94 -37.13 85.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.204 -0.935 . . . . 0.0 109.791 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.02 96.43 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.61 -39.83 95.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.29 -1.124 . . . . 0.0 110.589 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.29 -44.17 79.91 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.753 -1.217 . . . . 0.0 109.979 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.65 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.931 -1.105 . . . . 0.0 108.741 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -44.35 94.54 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.977 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.82 -19.37 65.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.227 -0.92 . . . . 0.0 108.813 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.92 -0.01 57.0 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.323 -0.861 . . . . 0.0 110.315 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.12 3.97 35.79 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.151 -0.968 . . . . 0.0 111.807 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -105.47 75.43 1.15 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.934 -1.333 . . . . 0.0 109.489 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -82.02 -13.15 57.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.06 151.39 50.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.393 -0.817 . . . . 0.0 109.469 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.74 94.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.617 -0.677 . . . . 0.0 111.275 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -60.0 -20.06 55.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.638 -1.289 . . . . 0.0 111.325 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.93 -32.54 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.476 -1.39 . . . . 0.0 107.313 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.41 -35.75 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -44.4 91.53 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.49 -43.81 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.903 -1.351 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.58 -39.38 81.0 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.0 -25.53 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.376 -0.828 . . . . 0.0 110.62 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.68 14.67 11.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.921 -1.112 . . . . 0.0 110.825 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.4 36.54 13.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.8 -1.188 . . . . 0.0 110.637 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 60.05 20.51 9.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.469 -0.769 . . . . 0.0 110.706 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -68.19 113.64 6.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.388 -1.445 . . . . 0.0 108.346 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.33 -40.66 93.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.545 -0.722 . . . . 0.0 112.906 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -39.33 75.9 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.701 -1.249 . . . . 0.0 109.899 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.81 -39.09 76.73 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.066 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.28 -46.92 84.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.055 -1.028 . . . . 0.0 109.772 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -60.01 -46.06 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.407 -0.808 . . . . 0.0 111.18 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.86 -38.13 89.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.76 -1.212 . . . . 0.0 108.641 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.4 t90 -61.46 -49.38 77.05 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.99 -48.69 65.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.996 -1.065 . . . . 0.0 110.141 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.47 -47.44 85.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.965 . . . . 0.0 109.588 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.39 -30.28 69.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.712 -0.617 . . . . 0.0 109.766 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.5 m -79.44 -33.61 42.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -0.929 . . . . 0.0 111.159 -178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.98 -29.72 1.43 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.556 -1.34 . . . . 0.0 112.382 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.02 15.54 16.02 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.84 154.16 2.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.123 -1.222 . . . . 0.0 109.271 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -90.88 171.8 9.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.024 -1.047 . . . . 0.0 110.024 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.77 72.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.614 -0.679 . . . . 0.0 110.939 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 9.3 mtpm? -72.08 -40.2 68.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 0.0 110.439 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.5 mm100 -68.59 -36.69 79.04 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 110.625 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.578 ' HG ' ' N ' ' A' ' 75' ' ' ARG . 53.7 p -68.31 -38.07 81.22 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 110.034 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.578 ' N ' ' HG ' ' A' ' 74' ' ' SER . 99.0 mtt180 -60.83 -37.57 82.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.868 -1.145 . . . . 0.0 110.046 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -67.93 -39.88 83.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.586 -1.321 . . . . 0.0 110.762 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.39 -39.95 77.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.893 -1.129 . . . . 0.0 110.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.34 -59.93 4.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.701 -1.249 . . . . 0.0 110.142 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.38 -32.46 77.33 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -68.6 -49.17 61.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -1.179 . . . . 0.0 109.823 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.04 -40.0 75.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.546 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -60.69 -40.16 91.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.105 -0.997 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.12 -37.72 75.4 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.196 -0.94 . . . . 0.0 110.942 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 90.8 t90 -62.33 -43.73 98.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.341 -1.474 . . . . 0.0 109.104 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 89' ' ' LEU . 65.0 m -60.23 -40.08 88.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 109.844 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.96 -30.47 67.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.37 -33.58 13.81 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.166 -0.959 . . . . 0.0 111.086 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.7 m-85 -109.94 0.39 18.56 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.293 -0.88 . . . . 0.0 111.875 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.7 tp . . . . . 0 N--CA 1.497 1.908 0 O-C-N 120.721 -1.237 . . . . 0.0 109.039 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m 51.76 -110.11 0.48 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.3 -0.875 . . . . 0.0 109.205 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 56.2 p -73.05 150.26 42.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.967 -1.083 . . . . 0.0 109.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -80.23 172.5 13.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 109.456 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.22 -25.35 68.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.736 -0.603 . . . . 0.0 110.024 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -35.92 79.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.144 -0.973 . . . . 0.0 109.3 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.435 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.7 t60 -59.48 -49.15 78.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.091 -1.006 . . . . 0.0 110.511 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 mmm-85 -70.04 -31.71 69.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.977 -1.077 . . . . 0.0 109.802 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.79 -39.24 70.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.347 -0.846 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.07 -39.98 86.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.414 -0.804 . . . . 0.0 110.256 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.78 17.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.951 . . . . 0.0 110.277 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -4.89 9.68 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.792 . . . . 0.0 110.734 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.13 150.51 24.1 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 120.75 -1.219 . . . . 0.0 109.295 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.26 159.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.67 1.58 . . . . 0.0 111.517 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.54 -21.42 21.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.886 -1.133 . . . . 0.0 109.113 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 -137.4 24.79 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.1 33.54 4.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.573 -0.957 . . . . 0.0 110.28 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -60.07 150.01 72.18 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.039 -1.038 . . . . 0.0 109.083 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.07 152.47 80.86 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.259 1.972 . . . . 0.0 112.073 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.93 -40.46 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.554 -0.716 . . . . 0.0 110.416 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 -3.93 11.51 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.8 t -82.87 -22.77 33.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.784 -1.421 . . . . 0.0 109.147 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.12 139.06 58.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.928 . . . . 0.0 109.375 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 138.96 58.49 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.79 0.805 . . . . 0.0 110.305 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 94.14 -14.41 65.37 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.1 mm -101.85 117.13 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.153 -1.204 . . . . 0.0 108.218 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.72 178.57 36.55 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.15 -40.02 80.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -1.009 . . . . 0.0 110.367 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.7 -47.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.908 -1.12 . . . . 0.0 109.832 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.76 -37.23 85.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.712 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.99 96.38 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.51 -40.08 96.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.245 -1.15 . . . . 0.0 110.501 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.609 -1.307 . . . . 0.0 110.029 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.67 -39.76 95.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.022 -1.049 . . . . 0.0 108.835 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -44.39 94.61 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.953 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -65.81 -19.37 65.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 108.776 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.9 0.14 56.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.418 -0.801 . . . . 0.0 110.31 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 4.15 36.28 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 121.038 -1.039 . . . . 0.0 111.823 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.78 75.64 1.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.829 -1.394 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -82.33 -12.98 57.63 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.781 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.03 151.55 50.45 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.333 -0.854 . . . . 0.0 109.487 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.51 93.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.639 -0.663 . . . . 0.0 111.302 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -60.0 -20.63 58.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.662 -1.274 . . . . 0.0 111.319 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -78.57 -32.47 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.441 -1.412 . . . . 0.0 107.228 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.5 -35.71 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.91 -39.61 86.0 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.14 -44.92 88.63 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.16 -43.76 95.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.962 -1.317 . . . . 0.0 109.245 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -39.86 81.17 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.61 -25.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.385 -0.822 . . . . 0.0 110.648 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.0 15.16 10.53 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.919 -1.113 . . . . 0.0 110.718 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.03 36.59 12.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.807 -1.183 . . . . 0.0 110.672 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.01 20.07 9.18 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.508 -0.745 . . . . 0.0 110.682 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.76 113.8 5.83 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.375 -1.453 . . . . 0.0 108.252 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.41 -41.09 93.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.584 -0.697 . . . . 0.0 112.823 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.67 -39.26 77.11 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.576 -1.327 . . . . 0.0 109.889 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.87 -38.85 76.54 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.086 -1.045 . . . . 0.0 109.156 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.56 -46.85 84.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.084 -1.01 . . . . 0.0 109.813 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -59.95 -46.7 88.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.0 111.053 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.37 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.75 -1.219 . . . . 0.0 108.771 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.461 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.4 t90 -61.66 -49.13 77.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.373 -0.829 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.14 -49.06 63.47 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.045 -1.034 . . . . 0.0 110.078 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.15 -47.43 86.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 0.0 109.593 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.31 -30.46 69.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -79.29 -33.63 43.13 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.16 -0.963 . . . . 0.0 111.224 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.88 -30.14 1.41 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.685 -1.259 . . . . 0.0 112.272 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.32 15.88 14.69 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.19 154.29 2.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -1.202 . . . . 0.0 109.256 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -90.93 171.62 9.17 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.4 71.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.593 -0.692 . . . . 0.0 110.88 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -72.26 -40.23 67.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.527 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.6 mm100 -68.71 -36.4 78.4 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.309 -0.869 . . . . 0.0 110.629 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' SER . . . . . 0.571 ' HG ' ' N ' ' B' ' 75' ' ' ARG . 53.8 p -68.58 -37.75 80.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.172 -0.955 . . . . 0.0 110.013 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.571 ' N ' ' HG ' ' B' ' 74' ' ' SER . 99.0 mtt180 -61.1 -37.29 82.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.869 -1.144 . . . . 0.0 110.095 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.17 -39.94 82.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.444 -1.41 . . . . 0.0 110.571 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.31 -40.13 77.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.781 -1.199 . . . . 0.0 110.489 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.2 -59.88 4.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.34 77.9 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.58 -49.2 61.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -1.191 . . . . 0.0 109.817 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.99 -39.96 75.6 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.612 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.84 -40.04 91.36 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.18 -0.95 . . . . 0.0 110.214 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.435 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.9 mt-10 -70.29 -37.73 74.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 110.877 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 90.7 t90 -62.33 -43.73 98.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.411 -1.431 . . . . 0.0 109.103 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' B' ' 89' ' ' LEU . 64.5 m -60.36 -39.91 88.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.822 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.07 -30.12 67.83 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.68 -33.77 13.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.151 -0.968 . . . . 0.0 110.973 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.7 m-85 -109.64 0.02 18.85 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.254 -0.903 . . . . 0.0 111.846 -177.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.497 1.912 0 O-C-N 120.9 -1.125 . . . . 0.0 109.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.1 m -97.25 117.49 31.58 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.301 -0.874 . . . . 0.0 108.811 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.3 p -80.04 166.24 21.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.945 . . . . 0.0 109.774 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.482 ' HG ' ' N ' ' A' ' 5' ' ' GLN . 29.1 t -70.01 156.51 39.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 0.0 109.198 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' N ' ' HG ' ' A' ' 4' ' ' SER . 96.8 mt-30 -60.88 -22.63 64.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.76 -0.588 . . . . 0.0 110.33 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -63.28 -39.82 95.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.131 -0.98 . . . . 0.0 110.148 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -60.02 -50.33 74.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.909 -1.119 . . . . 0.0 110.504 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HG2' HH11 ' A' ' 8' ' ' ARG . 32.8 mtt-85 -70.1 -34.7 73.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.92 -39.9 72.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.456 -0.777 . . . . 0.0 110.332 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 -40.0 83.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.379 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.77 15.96 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.03 -1.044 . . . . 0.0 109.989 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.98 -8.38 10.24 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.432 -0.793 . . . . 0.0 111.248 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.25 28.21 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.597 -1.315 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.71 161.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.044 1.829 . . . . 0.0 112.039 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.93 -22.16 21.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.189 -0.944 . . . . 0.0 109.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.6 -142.03 12.31 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.39 29.47 5.18 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -1.05 . . . . 0.0 110.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -62.08 149.6 85.96 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 120.873 -1.142 . . . . 0.0 108.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.42 159.96 51.66 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.489 2.126 . . . . 0.0 112.898 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 22' ' ' SER . 7.3 p -55.4 -48.27 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.38 0.609 . . . . 0.0 111.154 -179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.12 -3.84 0.15 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.525 ' H ' ' C ' ' A' ' 20' ' ' VAL . 19.3 m -83.28 -22.64 32.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.833 -1.392 . . . . 0.0 109.373 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.59 139.33 58.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 109.29 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' O ' ' SG ' ' A' ' 77' ' ' CYS . . . -64.28 134.88 55.58 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.639 0.733 . . . . 0.0 110.189 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.23 -18.27 56.79 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -95.93 116.47 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.032 -1.275 . . . . 0.0 108.234 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.46 170.64 39.03 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 45.9 mp0 -57.04 -40.04 76.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.271 -1.135 . . . . 0.0 110.377 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.17 -41.35 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.836 -1.165 . . . . 0.0 109.618 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.72 -37.25 81.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.745 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.75 94.68 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.54 -39.22 92.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -1.069 . . . . 0.0 110.36 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.86 -44.56 76.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.742 -1.224 . . . . 0.0 109.943 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.0 -38.58 91.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.746 -1.221 . . . . 0.0 108.571 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.891 -0.723 . . . . 0.0 109.255 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.94 -18.82 64.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 108.716 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.51 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 7.1 51.11 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 121.063 -1.023 . . . . 0.0 112.157 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -106.57 75.52 1.07 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 119.149 1.474 . . . . 0.0 108.941 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -80.51 -9.03 59.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.524 -0.735 . . . . 0.0 111.112 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -137.63 159.87 40.77 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.997 -1.065 . . . . 0.0 109.983 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.01 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.671 . . . . 0.0 112.763 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -60.18 -19.13 52.66 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.402 -1.436 . . . . 0.0 111.244 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.77 -33.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.08 -40.03 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.08 -38.81 83.97 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.07 79.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -59.97 -41.95 93.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.048 -1.266 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.383 -0.823 . . . . 0.0 108.839 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.34 -37.87 86.35 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.42 -26.67 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -0.904 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -90.05 13.55 14.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.025 -1.047 . . . . 0.0 110.838 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 47.67 39.89 10.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.695 -1.253 . . . . 0.0 110.717 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 59.86 19.99 8.9 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.454 -0.779 . . . . 0.0 110.134 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.6 113.31 5.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.618 -1.301 . . . . 0.0 108.301 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.47 -42.4 98.6 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.08 -39.0 75.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.469 -1.395 . . . . 0.0 110.846 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.02 -39.92 78.97 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.016 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.35 -44.47 91.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.0 -48.3 82.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 0.0 111.185 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -65.11 -37.96 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.685 -1.259 . . . . 0.0 109.494 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.452 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.28 -49.81 75.53 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.005 -1.06 . . . . 0.0 110.978 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' O ' ' SG ' ' A' ' 67' ' ' CYS . 59.0 tp -67.7 -48.04 67.67 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.138 -0.976 . . . . 0.0 110.297 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' GLY . 60.5 tttm -62.67 -47.5 83.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.945 . . . . 0.0 109.349 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.11 -31.71 71.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.742 -0.599 . . . . 0.0 109.621 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 64.3 m -79.31 -33.84 42.85 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 110.958 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 63' ' ' LEU . 31.5 p -131.39 -28.3 1.89 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.641 -1.287 . . . . 0.0 112.17 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 106.77 15.19 17.43 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.48 152.61 1.84 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.273 . . . . 0.0 109.863 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -91.63 172.45 8.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.861 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.28 77.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 110.768 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 88.4 tttt -70.48 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.964 -1.085 . . . . 0.0 110.091 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.75 -37.45 82.15 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.368 -0.833 . . . . 0.0 110.658 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 p -67.58 -38.33 83.9 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.134 -0.979 . . . . 0.0 110.093 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.408 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.3 mtm180 -60.97 -38.44 85.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.831 -1.168 . . . . 0.0 110.209 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.0 -39.99 83.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.542 -1.349 . . . . 0.0 110.668 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 24' ' ' ALA . 69.4 m -68.42 -40.09 81.35 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.828 -1.17 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.51 -60.03 4.45 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.452 -1.405 . . . . 0.0 109.847 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.09 85.2 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.287 -0.958 . . . . 0.0 110.964 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.83 -48.26 59.63 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.924 -1.339 . . . . 0.0 110.098 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.62 -39.58 77.08 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.823 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.36 -40.1 89.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.98 -39.46 75.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.148 -0.97 . . . . 0.0 111.226 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -61.98 -41.6 98.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.451 -1.406 . . . . 0.0 109.066 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 89' ' ' LEU . 67.1 m -61.46 -39.97 92.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.054 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.04 -29.03 68.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.19 -35.98 14.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.073 -1.017 . . . . 0.0 111.085 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -112.12 0.72 15.98 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.382 -0.824 . . . . 0.0 111.817 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' CYS . 48.2 tp . . . . . 0 N--CA 1.499 1.979 0 O-C-N 120.606 -1.309 . . . . 0.0 109.08 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.401 ' CG ' ' N ' ' B' ' 2' ' ' THR . 24.3 ptm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.401 ' N ' ' CG ' ' B' ' 1' ' ' MET . 62.1 m -97.08 117.52 31.43 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.276 -0.89 . . . . 0.0 108.795 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.5 p -80.02 166.24 21.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.93 . . . . 0.0 109.732 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' B' ' 5' ' ' GLN . 29.3 t -69.96 156.52 39.0 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.253 -0.904 . . . . 0.0 109.174 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.485 ' N ' ' HG ' ' B' ' 4' ' ' SER . 96.7 mt-30 -60.99 -22.62 64.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.883 -0.511 . . . . 0.0 110.18 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -63.23 -39.91 95.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.006 -1.059 . . . . 0.0 110.068 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.915 -1.115 . . . . 0.0 110.484 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.424 ' HG2' HH11 ' B' ' 8' ' ' ARG . 33.0 mtt-85 -70.02 -34.41 73.25 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.126 -0.984 . . . . 0.0 109.978 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.97 -39.97 72.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.88 -39.98 83.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.909 . . . . 0.0 110.37 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.83 15.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.077 -1.014 . . . . 0.0 110.004 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.01 -8.28 10.25 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.33 -0.856 . . . . 0.0 111.21 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.33 28.36 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.555 -1.341 . . . . 0.0 110.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.76 161.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.994 1.796 . . . . 0.0 112.079 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.1 ptp -90.83 -22.05 21.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.224 -0.922 . . . . 0.0 109.635 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.35 -141.9 11.44 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.31 29.45 5.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.399 -1.059 . . . . 0.0 110.747 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -62.1 149.4 86.61 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 108.885 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.33 159.98 51.6 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.471 2.114 . . . . 0.0 112.862 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.53 ' C ' ' H ' ' B' ' 22' ' ' SER . 7.0 p -55.38 -48.3 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.682 -0.636 . . . . 0.0 111.07 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.11 -3.85 0.15 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.53 ' H ' ' C ' ' B' ' 20' ' ' VAL . 19.3 m -83.23 -22.81 33.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.825 -1.397 . . . . 0.0 109.342 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.51 139.27 58.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.94 . . . . 0.0 109.352 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.457 ' O ' ' SG ' ' B' ' 77' ' ' CYS . . . -64.27 134.77 55.36 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.701 0.763 . . . . 0.0 110.21 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 -17.98 57.08 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.24 116.44 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.049 -1.265 . . . . 0.0 108.225 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.44 170.51 38.9 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 45.8 mp0 -57.1 -39.9 75.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -1.094 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.3 -41.43 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.854 -1.154 . . . . 0.0 109.677 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.43 -37.43 83.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.813 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.55 94.45 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.64 -39.09 92.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.409 -1.053 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.82 -44.72 76.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.696 -1.252 . . . . 0.0 109.948 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.95 -38.73 92.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.91 -1.119 . . . . 0.0 108.536 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -40.0 86.94 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.317 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.99 -18.82 64.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.52 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.536 -0.728 . . . . 0.0 109.78 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.99 6.99 51.27 Favored Glycine 0 N--CA 1.502 3.054 0 O-C-N 121.016 -1.052 . . . . 0.0 112.158 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -106.6 75.56 1.07 Allowed 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 119.219 1.509 . . . . 0.0 108.898 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -80.41 -8.98 59.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.603 -0.685 . . . . 0.0 111.083 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -137.56 159.85 40.81 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.038 -1.039 . . . . 0.0 110.026 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.0 91.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.654 -0.654 . . . . 0.0 112.647 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.09 -19.31 52.65 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.251 -1.531 . . . . 0.0 111.185 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.62 -33.28 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.434 -1.416 . . . . 0.0 107.279 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.96 -40.0 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.04 -38.75 83.65 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.82 81.52 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.138 -1.213 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.87 -40.1 87.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.378 -0.826 . . . . 0.0 108.951 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.31 -37.75 86.12 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.5 -26.72 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.196 -0.94 . . . . 0.0 110.228 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.07 13.78 14.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.08 -1.012 . . . . 0.0 110.784 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 47.48 39.96 10.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.701 -1.249 . . . . 0.0 110.606 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 59.88 19.93 8.88 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.416 -0.802 . . . . 0.0 110.204 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.69 113.73 6.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.464 -1.398 . . . . 0.0 108.24 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.77 -42.51 97.76 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.99 -38.91 76.14 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.532 -1.355 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.0 -39.96 79.0 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.961 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.44 -44.37 91.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.971 -1.081 . . . . 0.0 109.745 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 111.056 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.7 OUTLIER -65.0 -37.95 89.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.668 -1.27 . . . . 0.0 109.562 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' TRP . . . . . 0.473 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.15 -49.85 75.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.03 -1.044 . . . . 0.0 110.954 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.467 ' O ' ' SG ' ' B' ' 67' ' ' CYS . 59.0 tp -67.78 -48.08 67.36 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.316 -178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' GLY . 60.6 tttm -62.6 -47.53 83.39 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.03 -31.97 72.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.724 -0.61 . . . . 0.0 109.572 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 65.0 m -78.96 -33.76 44.95 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.331 -0.855 . . . . 0.0 111.009 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' B' ' 63' ' ' LEU . 31.4 p -131.56 -28.48 1.84 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.631 -1.293 . . . . 0.0 112.177 -178.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 106.92 15.3 16.84 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.36 152.8 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.091 -1.24 . . . . 0.0 109.842 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.78 172.75 8.26 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.197 -0.939 . . . . 0.0 109.953 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.24 77.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.79 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.403 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 88.5 tttt -70.63 -41.37 72.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.952 -1.093 . . . . 0.0 110.1 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.68 -37.49 82.42 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.359 -0.838 . . . . 0.0 110.609 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 10.1 p -67.53 -38.29 83.99 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.126 -0.984 . . . . 0.0 110.124 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.3 mtm180 -61.11 -38.34 85.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.851 -1.155 . . . . 0.0 110.209 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.02 83.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.674 -1.266 . . . . 0.0 110.73 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' B' ' 24' ' ' ALA . 68.8 m -68.54 -40.02 80.87 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -58.48 -59.93 4.59 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.588 -1.32 . . . . 0.0 109.897 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.12 85.46 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.82 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.69 -48.39 59.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.89 -1.359 . . . . 0.0 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.71 -39.38 76.91 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.773 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.51 -40.11 90.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.98 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 111.217 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TRP . . . . . 0.608 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.7 t90 -62.09 -41.47 98.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.481 -1.387 . . . . 0.0 109.099 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' B' ' 89' ' ' LEU . 67.1 m -61.52 -39.92 92.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.108 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.97 -29.22 68.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.22 -35.92 14.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.037 -1.04 . . . . 0.0 111.076 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.608 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.1 m-85 -112.11 0.76 16.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.286 -0.884 . . . . 0.0 111.843 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' B' ' 85' ' ' CYS . 47.7 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 120.612 -1.305 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.525 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 63.7 t60 -57.57 -48.89 78.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 110.024 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -70.07 -33.58 72.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.235 -0.915 . . . . 0.0 110.38 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.93 -38.71 69.79 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -67.44 -40.05 85.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.161 -0.962 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.7 m -84.6 15.48 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 0.0 109.938 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.16 -7.14 10.36 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.423 -0.798 . . . . 0.0 110.711 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -154.08 152.81 27.41 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 120.807 -1.183 . . . . 0.0 109.521 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.99 157.83 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.916 1.744 . . . . 0.0 111.614 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.681 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.7 ptp -91.49 -20.14 22.06 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.103 -0.998 . . . . 0.0 109.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.48 -138.12 18.76 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.29 30.04 6.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.464 -1.021 . . . . 0.0 110.862 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.59 150.29 75.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.79 -1.194 . . . . 0.0 108.658 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -63.73 152.93 78.27 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.286 1.991 . . . . 0.0 112.773 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -52.95 -46.65 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.5 0.667 . . . . 0.0 110.39 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.56 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.89 -1.73 0.27 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.6 t -82.62 -23.61 34.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.319 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.29 139.85 58.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.401 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.24 57.28 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.616 0.722 . . . . 0.0 109.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 -20.2 49.37 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.21 120.26 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.062 -1.258 . . . . 0.0 108.251 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.512 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -90.48 175.22 40.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.85 -40.03 79.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.424 -1.045 . . . . 0.0 110.459 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.11 -45.37 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.058 -1.026 . . . . 0.0 109.717 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD12 ' H ' ' A' ' 27' ' ' GLY . 67.8 mt -65.46 -36.11 82.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.442 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.36 95.65 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.3 -39.95 94.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.305 -1.115 . . . . 0.0 111.231 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.85 -44.61 84.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.642 -1.286 . . . . 0.0 109.609 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.93 -39.54 92.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.94 . . . . 0.0 109.452 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -39.99 87.48 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.291 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.73 -19.73 65.17 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.276 -0.89 . . . . 0.0 108.93 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HG2' HH11 ' A' ' 37' ' ' ARG . 48.1 mtt-85 -90.32 2.25 55.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.571 -0.706 . . . . 0.0 110.901 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.04 4.47 44.77 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.965 -1.084 . . . . 0.0 111.791 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.05 73.51 1.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.927 -1.337 . . . . 0.0 108.207 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.57 -12.56 58.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.56 -0.713 . . . . 0.0 110.167 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.3 150.96 50.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.433 -0.792 . . . . 0.0 109.17 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.02 94.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 111.422 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -58.46 -19.34 36.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.691 -1.256 . . . . 0.0 111.563 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.04 -31.74 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.416 -1.427 . . . . 0.0 107.529 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -77.4 -34.14 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.681 HD22 ' CE ' ' A' ' 15' ' ' MET . 31.2 tp -60.03 -39.1 84.73 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.58 -40.97 97.05 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -40.32 88.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.369 . . . . 0.0 108.974 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.89 -39.51 83.62 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.64 -29.18 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.302 -0.874 . . . . 0.0 110.549 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.96 15.78 9.4 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.41 35.05 5.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.767 -1.208 . . . . 0.0 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 60.99 20.0 10.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.745 -0.597 . . . . 0.0 111.568 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -67.34 118.34 10.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.273 -1.517 . . . . 0.0 108.128 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.28 -40.65 96.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.423 -0.798 . . . . 0.0 112.902 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.541 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 92.0 m-20 -69.91 -40.2 75.74 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.655 -1.278 . . . . 0.0 110.4 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.57 -39.99 73.59 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.78 -49.31 71.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.44 -0.787 . . . . 0.0 110.352 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.541 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.7 mtm180 -61.19 -43.88 98.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.0 -1.063 . . . . 0.0 110.9 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.03 -34.02 77.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.63 -1.294 . . . . 0.0 108.956 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.41 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.67 -48.19 81.95 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 110.501 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.53 -50.33 52.8 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.55 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.25 -48.39 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.16 -0.963 . . . . 0.0 110.066 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -69.41 -26.83 64.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.587 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.3 m -80.16 -33.23 38.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 111.242 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -133.01 -25.22 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.556 -1.34 . . . . 0.0 112.411 -177.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.85 14.21 23.64 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.48 152.73 2.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 109.476 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.7 169.07 12.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.019 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.7 70.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.492 -0.755 . . . . 0.0 110.556 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -40.03 67.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.975 -1.078 . . . . 0.0 109.295 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.64 -37.07 84.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.559 -0.713 . . . . 0.0 110.505 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.162 -0.961 . . . . 0.0 109.786 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -61.14 -37.88 84.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.012 -1.055 . . . . 0.0 110.278 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.57 -39.99 80.76 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.495 -1.378 . . . . 0.0 110.738 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.95 -40.04 79.19 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.856 -1.153 . . . . 0.0 110.008 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.36 -59.36 5.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.605 -1.309 . . . . 0.0 110.076 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.93 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.66 -48.14 67.52 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.057 -1.261 . . . . 0.0 109.13 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.04 -40.01 75.38 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.495 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -63.56 -40.71 97.68 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.036 -1.04 . . . . 0.0 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.525 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.5 mt-10 -69.85 -38.74 76.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.05 -1.031 . . . . 0.0 110.141 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.4 t90 -60.7 -44.6 96.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.668 -1.27 . . . . 0.0 108.655 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.75 -40.04 90.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.286 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.23 -32.57 70.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.79 17.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.198 -0.938 . . . . 0.0 110.486 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.0 m-85 . . . . . 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.511 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 63.5 t60 -57.55 -48.94 77.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.979 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -70.03 -33.56 72.13 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.97 -38.43 69.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.78 -40.0 84.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 110.219 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.34 15.1 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.952 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.92 -7.09 10.48 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.435 -0.79 . . . . 0.0 110.747 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -154.13 152.81 27.33 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.736 -1.227 . . . . 0.0 109.479 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -42.1 157.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.839 1.693 . . . . 0.0 111.611 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.665 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.3 ptp -91.52 -20.36 21.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.104 -0.998 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.03 -137.99 22.03 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.55 29.9 6.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.54 -0.976 . . . . 0.0 110.823 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.44 150.1 74.85 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 120.848 -1.157 . . . . 0.0 108.629 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -63.57 152.96 77.79 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.296 1.997 . . . . 0.0 112.873 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.557 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.6 p -52.99 -46.62 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-O 121.528 0.68 . . . . 0.0 110.396 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.557 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.89 -2.04 0.31 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.3 t -82.27 -23.65 35.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.946 -1.326 . . . . 0.0 109.128 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.34 139.87 58.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.407 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 136.52 57.55 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.652 0.739 . . . . 0.0 109.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.17 -20.25 49.58 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -99.14 120.15 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.083 -1.245 . . . . 0.0 108.33 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.506 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -90.39 175.35 40.87 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.92 -39.99 79.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.521 -0.988 . . . . 0.0 110.423 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.25 -45.19 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.96 -1.088 . . . . 0.0 109.756 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.506 HD12 ' H ' ' B' ' 27' ' ' GLY . 68.3 mt -65.61 -36.04 82.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.376 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.57 95.89 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.286 -1.126 . . . . 0.0 111.138 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.88 -44.57 84.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.612 -1.305 . . . . 0.0 109.658 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.04 -39.5 92.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 109.395 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.98 -40.0 87.65 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.176 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.59 -19.73 65.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.982 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' B' ' 37' ' ' ARG . 48.1 mtt-85 -90.34 1.89 56.1 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.383 -0.823 . . . . 0.0 110.83 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.4 4.41 43.66 Favored Glycine 0 N--CA 1.504 3.174 0 O-C-N 121.079 -1.013 . . . . 0.0 111.806 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.82 73.28 1.16 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.859 -1.377 . . . . 0.0 108.242 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -81.3 -12.81 58.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.524 -0.735 . . . . 0.0 110.045 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.11 150.84 50.34 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.469 -0.769 . . . . 0.0 109.252 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.01 94.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 111.449 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -58.4 -19.05 32.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.727 -1.233 . . . . 0.0 111.543 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.6 t -78.25 -31.8 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.423 -1.423 . . . . 0.0 107.552 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.38 -34.13 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.665 HD22 ' CE ' ' B' ' 15' ' ' MET . 31.1 tp -59.97 -38.84 83.67 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.68 97.24 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.04 -40.39 89.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.949 -1.324 . . . . 0.0 108.935 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -39.19 83.03 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.83 -29.47 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.362 -0.836 . . . . 0.0 110.472 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.63 15.44 9.52 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.028 . . . . 0.0 110.412 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.79 34.99 5.76 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.789 -1.194 . . . . 0.0 110.04 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 60.89 20.39 10.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.684 -0.635 . . . . 0.0 111.617 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -67.71 118.23 10.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.333 -1.479 . . . . 0.0 108.079 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -64.35 -40.29 95.57 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.39 -0.819 . . . . 0.0 112.925 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.553 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 91.9 m-20 -70.02 -40.29 75.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.627 -1.296 . . . . 0.0 110.46 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.59 -40.01 73.5 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.6 -49.44 71.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.553 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -61.26 -43.41 98.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.049 -1.032 . . . . 0.0 111.043 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.3 -34.18 77.73 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.581 -1.325 . . . . 0.0 108.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.4 -48.48 81.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.34 -50.29 54.29 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 110.538 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -60.18 -48.62 80.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 110.123 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.28 -26.82 64.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 109.607 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -80.12 -33.44 38.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 111.168 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -132.96 -24.88 1.87 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.65 -1.281 . . . . 0.0 112.535 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.63 13.95 24.72 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 152.64 2.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.167 -1.196 . . . . 0.0 109.416 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -87.67 168.88 12.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.939 -1.101 . . . . 0.0 109.963 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -31.85 70.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.528 -0.733 . . . . 0.0 110.568 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -39.96 67.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -66.47 -37.36 84.96 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.508 -0.745 . . . . 0.0 110.486 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.13 -38.58 88.5 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.17 -0.956 . . . . 0.0 109.784 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -60.82 -38.09 84.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.986 -1.071 . . . . 0.0 110.244 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.39 -40.01 81.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.557 -1.339 . . . . 0.0 110.687 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -69.01 -39.98 78.97 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.837 -1.164 . . . . 0.0 110.088 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.33 -59.56 5.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.67 -1.269 . . . . 0.0 110.069 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.19 78.2 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.65 -48.14 67.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.948 -1.325 . . . . 0.0 109.171 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.08 -40.09 75.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 109.467 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -63.45 -40.75 97.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.963 -1.086 . . . . 0.0 110.341 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.511 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.4 mt-10 -69.74 -38.86 77.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.987 -1.07 . . . . 0.0 110.182 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.594 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -60.5 -44.86 95.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.676 -1.265 . . . . 0.0 108.65 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.58 -40.07 90.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.58 -0.7 . . . . 0.0 109.314 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.18 -32.72 70.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.427 -0.796 . . . . 0.0 109.596 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.38 -35.65 18.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.181 -0.95 . . . . 0.0 110.499 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.594 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.8 m-85 -106.54 -86.09 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.304 -0.873 . . . . 0.0 110.226 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 120.955 -1.09 . . . . 0.0 108.722 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.68 -50.43 73.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.999 -1.063 . . . . 0.0 110.464 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -32.81 71.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.044 -1.035 . . . . 0.0 110.104 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.23 -36.99 69.26 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.449 -0.782 . . . . 0.0 110.098 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.89 -40.87 78.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.589 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.38 16.51 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.081 -1.012 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.36 -4.67 9.39 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.08 150.69 28.01 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 120.885 -1.134 . . . . 0.0 109.807 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.53 164.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.185 1.924 . . . . 0.0 111.984 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.44 ' HE2' ' HB3' ' A' ' 15' ' ' MET . 13.6 ptp -91.44 -19.16 23.15 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.033 -1.042 . . . . 0.0 109.773 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.49 -141.58 5.8 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.01 26.1 10.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.496 -1.002 . . . . 0.0 110.069 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.34 150.15 80.93 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 120.92 -1.113 . . . . 0.0 108.18 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -62.32 153.28 71.41 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.59 2.193 . . . . 0.0 113.027 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 21' ' ' GLY . 8.1 p -53.97 -46.16 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-O 121.517 0.675 . . . . 0.0 110.244 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.97 -2.49 0.37 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . 78.8 p -81.14 -24.45 37.62 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.914 -1.344 . . . . 0.0 109.093 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.38 138.38 58.43 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.791 0.805 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -65.31 134.91 54.6 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.424 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.544 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.9 -17.5 56.22 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -100.1 118.9 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 174.07 35.24 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.21 -39.98 84.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -1.013 . . . . 0.0 110.314 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.1 t -69.25 -44.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.821 -1.175 . . . . 0.0 109.198 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.23 -39.88 86.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.1 96.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.24 -39.26 92.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.245 -1.15 . . . . 0.0 110.968 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.01 -41.58 90.82 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.603 -1.31 . . . . 0.0 110.298 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.98 -40.02 91.83 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.068 -1.02 . . . . 0.0 109.483 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.8 -40.1 91.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.846 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.53 -20.02 63.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -88.68 -0.06 56.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 109.872 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.96 38.67 3.54 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.76 72.08 1.48 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -79.48 -15.04 58.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.427 -0.796 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 67.5 mmtt -131.74 152.26 51.05 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.047 -1.033 . . . . 0.0 110.03 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.581 -0.699 . . . . 0.0 111.748 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 26.9 p90 -58.75 -18.59 32.95 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.731 -1.23 . . . . 0.0 111.357 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.61 -31.32 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.59 -1.318 . . . . 0.0 107.932 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.26 -34.71 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 15' ' ' MET . 40.5 tp -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.46 98.2 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -60.31 -43.51 96.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.059 -1.259 . . . . 0.0 109.022 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 50' ' ' LEU . 92.8 mt -68.4 -37.66 80.55 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.83 -29.41 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.45 14.28 10.06 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.155 -0.966 . . . . 0.0 110.516 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 48.16 36.61 6.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.644 -1.285 . . . . 0.0 109.989 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 mttm 60.25 20.48 9.91 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.628 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.65 112.59 4.85 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.613 -1.305 . . . . 0.0 108.394 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -41.9 97.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.415 -0.803 . . . . 0.0 113.15 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.7 m-20 -68.88 -39.92 79.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.528 -1.357 . . . . 0.0 110.473 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.12 -38.73 75.65 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.063 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.52 -48.95 75.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.368 -0.832 . . . . 0.0 109.847 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 78.7 mtm180 -59.96 -47.01 87.57 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.177 -0.952 . . . . 0.0 111.093 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.78 -38.06 89.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.867 -1.145 . . . . 0.0 108.748 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.16 -48.63 77.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.572 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.14 -47.61 64.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.962 -1.086 . . . . 0.0 111.147 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -62.03 -47.45 84.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.934 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.0 t0 -68.34 -28.21 66.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.574 -0.704 . . . . 0.0 109.629 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 m -79.31 -34.55 42.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.221 -0.924 . . . . 0.0 111.296 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -132.42 -31.34 1.41 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.482 -1.386 . . . . 0.0 112.221 -177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.3 15.64 11.27 Favored Glycine 0 N--CA 1.502 3.077 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.05 152.87 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.12 -1.223 . . . . 0.0 109.749 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.57 172.12 8.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.11 -0.994 . . . . 0.0 110.151 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.49 75.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.533 -0.729 . . . . 0.0 111.464 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -71.98 -39.99 68.89 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.592 -1.317 . . . . 0.0 110.041 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.7 mm100 -66.55 -38.2 86.6 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.518 -0.739 . . . . 0.0 110.293 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -66.8 -37.19 84.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.966 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -60.03 -39.3 85.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.88 -1.138 . . . . 0.0 109.58 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.16 -40.0 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.828 -1.17 . . . . 0.0 110.807 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -67.83 -39.94 83.82 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.958 -1.089 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.92 -60.9 3.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.842 -1.161 . . . . 0.0 110.325 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.93 83.93 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 48.1 t -68.81 -49.07 61.57 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.136 -1.214 . . . . 0.0 109.712 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.95 -40.07 75.66 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.227 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.31 -40.02 92.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -0.978 . . . . 0.0 109.511 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.87 -39.43 76.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -0.965 . . . . 0.0 110.867 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.4 t90 -60.9 -43.05 99.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.558 -1.339 . . . . 0.0 108.631 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.482 -0.761 . . . . 0.0 109.549 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.25 -32.21 69.79 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.435 -0.791 . . . . 0.0 110.265 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -34.43 19.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.137 -0.977 . . . . 0.0 110.386 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.6 m-85 . . . . . 0 N--CA 1.496 1.861 0 O-C-N 121.316 -0.865 . . . . 0.0 110.896 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.958 0.408 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.59 -50.48 73.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.045 -1.034 . . . . 0.0 110.441 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.09 -32.71 70.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.968 . . . . 0.0 110.102 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -72.32 -37.13 69.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.71 -40.84 79.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.66 16.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.001 . . . . 0.0 109.923 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.6 -4.77 9.26 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.653 -0.654 . . . . 0.0 110.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.02 150.57 27.83 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.916 -1.115 . . . . 0.0 109.853 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -44.5 164.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.042 1.828 . . . . 0.0 112.038 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.489 ' HE2' ' HB3' ' B' ' 15' ' ' MET . 13.6 ptp -91.41 -19.0 23.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -0.99 . . . . 0.0 109.815 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.36 -141.75 5.54 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -106.77 26.02 10.53 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.965 . . . . 0.0 110.111 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -61.33 150.18 80.76 Favored Pre-proline 0 C--N 1.303 -1.43 0 O-C-N 121.015 -1.053 . . . . 0.0 108.249 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -62.22 153.33 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.598 2.199 . . . . 0.0 113.045 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.563 HG13 ' N ' ' B' ' 21' ' ' GLY . 8.0 p -54.08 -46.09 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.456 0.645 . . . . 0.0 110.204 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.563 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.1 -2.28 0.37 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' B' ' 20' ' ' VAL . 79.3 p -81.32 -24.47 37.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.033 -1.275 . . . . 0.0 109.069 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.34 138.21 58.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.703 0.763 . . . . 0.0 109.83 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -65.33 134.81 54.38 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.859 -0.737 . . . . 0.0 109.578 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.54 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.87 -17.22 56.66 Favored Glycine 0 N--CA 1.498 2.803 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -100.21 118.9 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 174.05 35.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.27 -39.95 84.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.428 -1.042 . . . . 0.0 110.222 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.17 -45.05 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -39.98 87.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -0.876 . . . . 0.0 109.089 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.99 96.43 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.12 -39.59 93.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.155 -1.203 . . . . 0.0 110.924 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.84 -41.55 91.59 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.231 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.022 -1.049 . . . . 0.0 109.467 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.84 -40.01 91.25 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.861 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.54 -20.16 63.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.194 -0.941 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -88.68 0.0 56.86 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.613 -0.679 . . . . 0.0 109.91 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.98 38.64 3.54 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.88 72.19 1.49 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -79.66 -15.09 58.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.476 -0.765 . . . . 0.0 110.537 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 67.2 mmtt -131.68 152.36 50.93 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.155 -0.965 . . . . 0.0 109.98 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.18 99.0 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.58 -0.7 . . . . 0.0 111.785 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.402 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 27.0 p90 -58.94 -18.72 36.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.726 -1.234 . . . . 0.0 111.28 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.55 -31.22 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.505 -1.372 . . . . 0.0 107.919 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.3 -34.69 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' B' ' 15' ' ' MET . 41.2 tp -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.67 98.12 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -60.03 -43.69 95.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.104 -1.233 . . . . 0.0 108.9 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.37 -37.92 80.91 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.67 -29.31 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.347 -0.846 . . . . 0.0 110.197 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.62 14.59 9.67 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.036 -1.04 . . . . 0.0 110.477 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 47.92 36.77 6.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.626 -1.296 . . . . 0.0 110.046 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 60.16 20.36 9.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.58 -0.7 . . . . 0.0 110.651 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.54 112.72 4.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.679 -1.263 . . . . 0.0 108.353 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -42.1 97.59 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 113.057 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.7 m-20 -68.69 -39.96 80.3 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.643 -1.286 . . . . 0.0 110.432 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.16 -38.47 75.46 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.099 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.75 -48.87 75.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.0 109.811 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 78.8 mtm180 -59.97 -47.27 86.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.198 -0.939 . . . . 0.0 110.995 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.67 -37.97 88.52 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.93 -1.106 . . . . 0.0 108.709 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -63.25 -48.53 77.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 111.582 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -69.16 -47.85 63.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.947 -1.095 . . . . 0.0 111.011 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.86 -47.54 84.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.035 -1.041 . . . . 0.0 109.945 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.5 t0 -68.15 -28.25 67.14 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.617 -0.677 . . . . 0.0 109.703 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m -79.29 -34.58 42.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 111.304 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.41 -31.4 1.41 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.598 -1.314 . . . . 0.0 112.236 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 15.9 11.05 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.24 152.87 3.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.089 -1.242 . . . . 0.0 109.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.53 172.1 8.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.176 -0.952 . . . . 0.0 110.127 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.3 75.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 111.407 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -72.04 -40.1 68.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.515 -1.366 . . . . 0.0 109.995 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.7 mm100 -66.65 -37.93 85.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 110.374 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -67.0 -37.04 83.49 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.924 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.099 . . . . 0.0 109.579 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.37 -39.97 85.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.811 -1.18 . . . . 0.0 110.801 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.81 -39.92 83.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.778 -1.201 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.92 -60.75 3.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.733 -1.229 . . . . 0.0 110.335 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -32.84 83.96 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 48.7 t -68.9 -48.98 62.01 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.306 . . . . 0.0 109.766 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.06 -39.86 75.4 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.29 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.38 -39.94 92.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.134 -0.979 . . . . 0.0 109.522 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.02 -39.42 75.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.169 -0.957 . . . . 0.0 110.817 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.3 t90 -60.98 -42.91 99.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.508 -1.37 . . . . 0.0 108.665 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.408 -0.808 . . . . 0.0 109.493 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.29 -32.11 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.491 -0.756 . . . . 0.0 110.252 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.76 -34.49 19.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.135 -0.978 . . . . 0.0 110.366 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.6 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.5 m-85 -107.42 -87.59 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.313 -0.867 . . . . 0.0 110.846 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.62 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.152 0.501 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.9 t60 -60.07 -50.95 71.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.156 -0.965 . . . . 0.0 110.502 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -69.93 -33.47 72.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 110.248 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.28 -39.25 75.01 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.614 -0.678 . . . . 0.0 110.24 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -68.62 -39.94 80.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 110.939 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 7' ' ' HIS . 32.9 m -86.15 14.8 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.029 -1.044 . . . . 0.0 110.685 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.25 -7.2 11.26 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.28 -0.887 . . . . 0.0 110.558 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.22 152.64 23.73 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.902 -1.124 . . . . 0.0 109.311 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -41.86 160.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.994 1.796 . . . . 0.0 112.505 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.527 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.5 ptp -91.4 -18.92 23.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.893 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -138.66 15.21 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.1 30.01 6.58 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.4 -1.059 . . . . 0.0 110.733 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -60.59 149.6 77.87 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 120.679 -1.263 . . . . 0.0 108.938 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.92 153.15 75.11 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.49 2.126 . . . . 0.0 112.89 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' A' ' 22' ' ' SER . 1.7 p -54.11 -41.88 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.07 -3.63 1.35 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 20' ' ' VAL . 22.8 m -82.17 -20.44 37.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.989 -1.301 . . . . 0.0 109.032 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD21 ' A' ' 81' ' ' LEU . 93.3 mt -64.78 138.88 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.145 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.56 136.12 57.32 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.319 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.64 -20.0 50.03 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -98.3 117.08 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.254 . . . . 0.0 108.212 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.57 176.5 38.29 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.424 -1.471 . . . . 0.0 109.424 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 46.8 mp0 -59.03 -40.14 84.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.243 -1.151 . . . . 0.0 110.439 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.48 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.72 -1.238 . . . . 0.0 109.322 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.61 -39.4 88.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.828 . . . . 0.0 109.408 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.93 96.3 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.8 -39.91 93.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -1.053 . . . . 0.0 110.479 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.03 -43.7 78.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.774 -1.204 . . . . 0.0 109.655 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.85 -39.97 91.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 108.53 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.03 -40.86 90.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.165 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.25 64.44 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -89.68 0.24 57.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.604 -0.685 . . . . 0.0 109.809 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.38 4.63 40.59 Favored Glycine 0 N--CA 1.505 3.243 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.149 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.37 75.55 1.25 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.797 -1.414 . . . . 0.0 109.546 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -83.5 -13.84 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.323 -0.86 . . . . 0.0 110.517 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.94 150.79 50.23 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.02 94.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 111.867 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.93 -19.74 53.48 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.521 -1.362 . . . . 0.0 111.275 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.4 -31.36 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.1 t -74.96 -39.92 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD22 ' CE ' ' A' ' 15' ' ' MET . 59.6 tp -59.84 -38.56 82.42 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.17 86.34 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.1 -45.71 92.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.196 -1.179 . . . . 0.0 109.545 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.419 -0.8 . . . . 0.0 109.049 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.74 -39.13 80.49 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.84 -26.88 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -87.96 13.01 11.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.184 -0.947 . . . . 0.0 110.316 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.66 38.99 12.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.765 -1.209 . . . . 0.0 110.437 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 59.99 20.08 9.16 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 110.587 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.73 106.94 2.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.394 -1.442 . . . . 0.0 108.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 60' ' ' ARG . 34.0 tt0 -64.51 -40.03 94.89 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.26 -0.9 . . . . 0.0 112.525 -178.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.599 -1.313 . . . . 0.0 109.602 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.95 -39.3 76.13 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.238 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.23 -49.49 71.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.479 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 56' ' ' GLU . 99.1 mtt180 -60.01 -47.38 86.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.41 -0.806 . . . . 0.0 110.586 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.65 -36.53 84.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.88 -1.137 . . . . 0.0 109.329 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -67.07 -43.56 82.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.684 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.9 -49.38 58.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 110.864 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -61.56 -46.82 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.85 -27.07 65.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.825 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.6 m -80.26 -34.69 36.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 111.426 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -131.72 -29.89 1.68 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.548 -1.345 . . . . 0.0 112.381 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.07 14.45 24.54 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 155.22 3.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -1.176 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -88.32 169.2 12.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.18 70.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.524 -0.735 . . . . 0.0 111.309 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.46 -40.44 70.33 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.583 -1.323 . . . . 0.0 110.056 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -66.67 -39.6 88.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.419 -0.8 . . . . 0.0 110.127 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.4 m -65.01 -39.81 93.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.817 . . . . 0.0 110.65 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -60.09 -36.75 78.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.722 -1.236 . . . . 0.0 109.721 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.88 -39.68 83.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.586 -1.321 . . . . 0.0 110.787 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.12 -39.9 82.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.805 -1.184 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.67 -60.91 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.725 -1.234 . . . . 0.0 110.05 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.51 -32.04 81.76 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.87 -49.62 56.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.852 -1.381 . . . . 0.0 109.645 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 23' ' ' LEU . 91.1 mt -70.05 -40.04 75.35 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.314 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.24 -40.7 95.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.004 -1.06 . . . . 0.0 110.172 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.09 -37.3 75.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.435 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.3 t90 -59.99 -45.33 93.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.739 -1.225 . . . . 0.0 108.308 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.54 -40.05 93.27 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.96 -33.59 72.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.39 -0.819 . . . . 0.0 109.558 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.47 -37.08 20.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.854 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.0 m-85 . . . . . 0 N--CA 1.498 1.936 0 O-C-N 121.36 -0.837 . . . . 0.0 110.519 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.426 ' O ' HG22 ' B' ' 11' ' ' VAL . 68.9 t60 -59.94 -50.96 71.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.928 . . . . 0.0 110.471 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -70.08 -33.25 71.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -70.48 -39.06 74.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 110.226 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.7 -40.13 80.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.925 . . . . 0.0 110.818 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 7' ' ' HIS . 32.9 m -85.87 14.7 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 110.699 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.24 -7.23 11.26 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.233 -0.917 . . . . 0.0 110.602 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.12 152.82 24.27 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.834 -1.166 . . . . 0.0 109.238 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -41.86 159.9 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.107 1.871 . . . . 0.0 112.474 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.54 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.5 ptp -91.33 -19.01 23.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.265 -0.897 . . . . 0.0 109.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.16 -138.69 15.63 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.18 30.01 6.59 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -1.027 . . . . 0.0 110.732 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.83 149.51 80.1 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.817 -1.177 . . . . 0.0 108.899 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.8 153.17 74.43 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.458 2.105 . . . . 0.0 113.001 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' B' ' 22' ' ' SER . 1.8 p -54.12 -41.94 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.548 -0.72 . . . . 0.0 110.051 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.95 -3.76 1.35 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.6 m -82.07 -20.13 38.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.859 -1.377 . . . . 0.0 109.118 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.541 HD22 HD21 ' B' ' 81' ' ' LEU . 93.4 mt -64.97 138.86 58.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.113 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 136.28 57.42 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.266 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.55 -20.06 49.91 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.7 mm -98.22 116.98 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.098 -1.237 . . . . 0.0 108.268 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.52 176.5 38.36 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 46.7 mp0 -59.1 -40.02 84.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -1.136 . . . . 0.0 110.512 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.21 -45.55 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 109.299 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.6 -39.45 88.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -0.81 . . . . 0.0 109.432 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.85 96.29 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -1.084 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -67.89 -43.75 78.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.779 -1.201 . . . . 0.0 109.648 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.06 -39.87 91.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.162 -0.961 . . . . 0.0 108.506 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.06 -40.76 90.59 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.198 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.11 64.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 108.952 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.74 0.15 57.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.573 -0.704 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 4.56 40.56 Favored Glycine 0 N--CA 1.504 3.222 0 O-C-N 121.205 -0.935 . . . . 0.0 112.132 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.13 75.55 1.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.669 -1.489 . . . . 0.0 109.59 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -83.37 -13.92 53.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.272 -0.892 . . . . 0.0 110.43 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.84 150.8 50.18 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.267 -0.895 . . . . 0.0 108.991 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.9 94.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.382 -0.824 . . . . 0.0 111.756 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -59.98 -19.85 54.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.56 -1.337 . . . . 0.0 111.405 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -77.95 -31.66 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.4 t -74.92 -39.88 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.0 -38.54 82.9 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.02 -42.11 86.37 Favored Glycine 0 N--CA 1.483 1.805 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.07 -45.64 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.12 -1.224 . . . . 0.0 109.618 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.92 -40.14 87.82 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.406 -0.809 . . . . 0.0 109.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.68 -39.21 80.69 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.85 -26.76 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 110.139 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -87.94 12.99 11.85 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.111 -0.993 . . . . 0.0 110.298 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.77 38.87 12.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.575 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.572 -0.705 . . . . 0.0 110.578 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -68.64 106.72 2.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.448 -1.408 . . . . 0.0 108.467 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.468 ' CD ' ' NH2' ' B' ' 60' ' ' ARG . 33.8 tt0 -64.6 -40.0 94.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.901 . . . . 0.0 112.443 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.13 -40.0 86.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.642 -1.286 . . . . 0.0 109.616 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.98 -39.37 75.98 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.145 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.05 -49.4 72.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.0 109.632 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' CD ' ' B' ' 56' ' ' GLU . 99.1 mtt180 -60.13 -47.4 86.06 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.509 -0.744 . . . . 0.0 110.526 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.55 -36.67 84.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.848 -1.157 . . . . 0.0 109.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -66.96 -43.69 82.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 110.691 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.96 -49.34 58.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.98 -1.075 . . . . 0.0 110.849 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.58 -46.76 88.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -68.94 -27.09 65.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.341 -0.849 . . . . 0.0 109.752 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -80.32 -34.47 36.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 111.483 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.1 p -131.93 -29.78 1.64 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.597 -1.314 . . . . 0.0 112.286 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.89 14.58 24.56 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.32 155.17 3.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.176 -1.191 . . . . 0.0 109.926 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -88.11 169.15 12.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -0.974 . . . . 0.0 109.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -28.93 70.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 111.361 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.53 -40.3 70.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.52 -1.363 . . . . 0.0 110.029 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -66.8 -39.6 87.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.437 -0.789 . . . . 0.0 110.169 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -64.96 -39.83 94.08 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.312 -0.867 . . . . 0.0 110.669 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -60.04 -36.82 78.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.741 -1.224 . . . . 0.0 109.669 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.58 -39.94 84.85 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.539 -1.351 . . . . 0.0 110.784 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.91 -40.1 83.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.71 -1.244 . . . . 0.0 110.176 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.51 -60.96 2.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.75 -1.218 . . . . 0.0 110.116 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.39 -32.26 82.32 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.65 -49.78 56.42 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.918 -1.342 . . . . 0.0 109.712 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.541 HD21 HD22 ' B' ' 23' ' ' LEU . 90.9 mt -70.06 -40.07 75.29 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.31 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.99 -40.89 95.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.088 -1.007 . . . . 0.0 110.1 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.1 -37.17 75.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.166 -0.959 . . . . 0.0 110.55 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -60.1 -45.42 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.767 -1.208 . . . . 0.0 108.254 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.5 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 0.0 109.518 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.53 -36.94 20.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.154 -0.966 . . . . 0.0 109.926 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -104.08 -84.68 0.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.331 -0.856 . . . . 0.0 110.356 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.053 -1.029 . . . . 0.0 109.484 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.012 0.434 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.503 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 69.4 t60 -60.05 -52.42 65.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.91 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -70.07 -34.46 73.2 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.938 -1.101 . . . . 0.0 109.828 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.53 -0.731 . . . . 0.0 110.221 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.39 -40.0 81.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.011 -1.056 . . . . 0.0 110.22 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.13 13.71 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.083 -1.011 . . . . 0.0 110.382 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.92 -7.87 11.35 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.331 -0.856 . . . . 0.0 110.418 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.71 152.9 26.77 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.952 -1.092 . . . . 0.0 109.527 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -41.57 159.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.134 1.889 . . . . 0.0 111.991 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.702 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.6 ptp -91.27 -19.17 23.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.24 -140.93 17.47 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.63 29.62 6.42 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.429 -1.042 . . . . 0.0 110.128 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.15 149.16 83.19 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.093 -1.004 . . . . 0.0 108.35 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.53 155.83 64.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.231 1.954 . . . . 0.0 112.757 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -52.57 -43.4 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.633 -0.667 . . . . 0.0 110.238 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.57 -3.05 0.89 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 39.0 t -81.52 -21.08 38.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.743 -1.445 . . . . 0.0 109.012 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.84 139.73 58.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.414 -0.804 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.46 136.24 56.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.724 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -21.59 44.17 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.31 115.73 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.108 -1.23 . . . . 0.0 107.914 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.01 178.07 40.3 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -58.66 -40.03 82.34 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -1.085 . . . . 0.0 110.332 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.67 -44.66 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.788 -1.195 . . . . 0.0 109.356 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 27' ' ' GLY . 87.6 mt -67.02 -37.71 84.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.475 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.91 93.75 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -37.82 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -1.229 . . . . 0.0 110.31 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.08 -45.54 80.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.842 -1.161 . . . . 0.0 110.033 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.56 -38.53 87.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.211 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.0 -40.73 90.23 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.659 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.94 -19.99 65.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.183 -0.948 . . . . 0.0 109.045 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -90.04 0.99 56.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.605 -0.684 . . . . 0.0 109.763 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.24 38.7 3.95 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 121.063 -1.023 . . . . 0.0 111.0 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.43 73.77 1.51 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.122 -1.222 . . . . 0.0 108.893 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -82.55 -12.38 57.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.005 -1.059 . . . . 0.0 110.393 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.92 50.53 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.152 -0.967 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.95 94.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.422 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 30.0 p90 -60.1 -20.13 56.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.712 -1.243 . . . . 0.0 111.433 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -78.45 -32.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.415 -1.428 . . . . 0.0 107.477 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.16 -37.12 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD22 ' CE ' ' A' ' 15' ' ' MET . 33.8 tp -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.33 -42.15 93.44 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.96 -40.91 90.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.064 -1.257 . . . . 0.0 109.046 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.01 -39.96 87.64 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.14 -38.69 85.99 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.902 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.24 -28.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 111.428 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 14.42 7.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.877 -1.139 . . . . 0.0 110.821 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm 59.94 19.57 8.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.2 mttt 60.18 19.96 9.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.723 . . . . 0.0 111.219 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 124.75 23.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.463 . . . . 0.0 107.738 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.3 tt0 -64.54 -40.77 96.22 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.102 -0.999 . . . . 0.0 113.503 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.0 -39.84 75.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.533 -1.354 . . . . 0.0 110.559 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.97 -37.41 75.76 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.123 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -63.51 -45.0 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.165 -0.96 . . . . 0.0 109.763 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 96.4 mtt180 -60.04 -45.38 93.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.368 -0.832 . . . . 0.0 111.288 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.71 -36.9 84.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.759 -1.213 . . . . 0.0 109.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.74 -49.63 76.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.075 -1.016 . . . . 0.0 110.919 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.16 -46.3 71.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.954 -1.091 . . . . 0.0 110.303 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -61.11 -49.95 75.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.076 -1.015 . . . . 0.0 110.558 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.37 -26.37 64.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.431 -0.793 . . . . 0.0 109.745 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -79.92 -35.24 38.14 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.256 -0.902 . . . . 0.0 111.033 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -131.13 -27.24 2.05 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.547 -1.346 . . . . 0.0 111.95 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.67 14.86 20.44 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.33 153.92 1.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -1.213 . . . . 0.0 109.145 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -90.79 170.71 9.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.776 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.65 72.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.768 . . . . 0.0 110.847 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.41 -41.41 69.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.852 -1.155 . . . . 0.0 110.269 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -67.09 -35.54 80.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -66.92 -38.08 85.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.174 -0.954 . . . . 0.0 109.945 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.07 -38.9 87.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.862 -1.148 . . . . 0.0 110.099 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.16 -39.81 82.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.718 -1.239 . . . . 0.0 110.672 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.48 -39.95 81.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.912 -1.117 . . . . 0.0 110.204 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -60.66 -59.31 5.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.579 -1.326 . . . . 0.0 110.245 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.21 81.57 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.7 t -68.52 -48.21 64.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.07 -1.253 . . . . 0.0 109.428 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.9 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 82' ' ' ARG . 1.2 tpt180 -60.27 -40.72 91.37 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.503 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 0.0 111.434 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.2 t90 -59.95 -44.27 94.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.313 -1.492 . . . . 0.0 108.59 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.97 -39.96 93.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.643 -0.66 . . . . 0.0 109.563 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.6 -33.53 71.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.437 -0.789 . . . . 0.0 109.728 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.73 -35.59 17.83 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.302 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 82.3 m-85 . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.244 -0.91 . . . . 0.0 110.412 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.935 0.397 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.501 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 69.1 t60 -60.02 -52.46 65.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -70.07 -34.47 73.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.041 -1.037 . . . . 0.0 109.792 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.91 -39.44 72.72 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.062 -1.023 . . . . 0.0 110.365 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.14 13.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.025 -1.047 . . . . 0.0 110.274 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.09 -7.97 11.25 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.277 -0.89 . . . . 0.0 110.466 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.67 152.89 26.81 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 120.886 -1.134 . . . . 0.0 109.488 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.54 160.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.074 1.849 . . . . 0.0 112.108 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.692 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.6 ptp -91.25 -19.38 23.07 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.252 -0.905 . . . . 0.0 109.645 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.28 -140.93 17.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.64 29.68 6.37 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.418 -1.048 . . . . 0.0 110.117 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.27 149.39 82.96 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 108.289 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.63 155.56 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.286 1.991 . . . . 0.0 112.814 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.4 p -52.3 -43.32 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.655 -0.653 . . . . 0.0 110.265 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.59 -3.11 0.92 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.4 t -81.51 -21.09 38.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.798 -1.413 . . . . 0.0 109.045 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.91 139.78 58.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.514 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 136.12 56.74 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.657 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -21.41 44.88 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.46 115.63 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.223 -1.163 . . . . 0.0 107.915 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.419 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.81 178.19 40.7 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -58.75 -39.95 82.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.444 -1.033 . . . . 0.0 110.327 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.76 -44.75 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.127 . . . . 0.0 109.312 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.419 HD12 ' H ' ' B' ' 27' ' ' GLY . 87.1 mt -66.93 -37.69 84.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.98 93.96 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.52 -37.88 88.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -1.21 . . . . 0.0 110.306 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.01 -45.52 81.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.773 -1.204 . . . . 0.0 109.994 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.69 -38.52 88.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -0.991 . . . . 0.0 109.105 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.05 -40.71 90.35 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.607 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.01 -20.01 64.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.156 -0.965 . . . . 0.0 109.024 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -90.0 0.94 56.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.46 -0.775 . . . . 0.0 109.717 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.29 38.8 3.91 Favored Glycine 0 N--CA 1.499 2.894 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.965 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.48 73.76 1.5 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.167 -1.196 . . . . 0.0 108.875 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -82.62 -12.23 57.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.977 -1.077 . . . . 0.0 110.368 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.9 50.56 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.067 -1.021 . . . . 0.0 109.873 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.97 94.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.551 -0.718 . . . . 0.0 111.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 30.3 p90 -60.22 -20.03 57.01 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.647 -1.283 . . . . 0.0 111.429 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.53 -31.98 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.393 -1.442 . . . . 0.0 107.454 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -78.17 -37.21 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.692 HD22 ' CE ' ' B' ' 15' ' ' MET . 33.5 tp -59.94 -39.75 86.6 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.55 -41.97 93.8 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.05 -40.92 91.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -1.218 . . . . 0.0 108.967 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.96 -40.03 87.63 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.07 -38.76 86.35 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.25 -28.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.473 -0.767 . . . . 0.0 111.343 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.87 14.33 7.44 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.831 -1.168 . . . . 0.0 110.797 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 59.94 19.55 8.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.301 -0.875 . . . . 0.0 109.475 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 60.12 19.99 9.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.519 -0.738 . . . . 0.0 111.229 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.76 124.68 23.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.481 -1.387 . . . . 0.0 107.714 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.4 tt0 -64.57 -40.77 96.15 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.172 -0.955 . . . . 0.0 113.528 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.97 -39.86 75.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.697 -1.252 . . . . 0.0 110.612 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.39 75.86 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.113 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.5 -44.9 93.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 109.814 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 96.4 mtt180 -60.11 -45.48 92.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.803 . . . . 0.0 111.223 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.6 -36.97 85.28 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.702 -1.249 . . . . 0.0 109.262 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.65 -49.64 76.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.19 -46.47 70.56 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.107 -0.996 . . . . 0.0 110.265 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.05 -49.96 75.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.126 -0.984 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.24 -26.4 64.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.865 . . . . 0.0 109.736 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.3 m -79.99 -35.21 37.8 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.206 -0.934 . . . . 0.0 111.132 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.99 -27.32 2.07 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.644 -1.285 . . . . 0.0 111.92 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.47 15.05 20.32 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 153.76 1.93 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.01 -1.288 . . . . 0.0 109.104 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.58 170.7 9.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.109 -0.994 . . . . 0.0 109.802 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.65 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.468 -0.77 . . . . 0.0 110.853 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.3 -41.47 69.9 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.701 -1.249 . . . . 0.0 110.202 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -67.07 -35.84 80.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 0.0 110.508 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 19.5 p -66.67 -38.11 86.15 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.09 -38.81 87.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.852 -1.155 . . . . 0.0 110.119 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.07 -39.95 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.717 -1.239 . . . . 0.0 110.68 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.44 -40.12 81.27 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.887 -1.133 . . . . 0.0 110.126 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.42 -59.29 5.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.21 81.8 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.096 -1.05 . . . . 0.0 110.484 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.8 t -68.49 -48.23 64.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.11 -1.23 . . . . 0.0 109.4 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.921 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 82' ' ' ARG . 1.2 tpt180 -60.21 -40.77 91.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.141 -0.974 . . . . 0.0 109.185 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.501 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -39.98 75.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 111.531 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.14 -44.08 95.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.217 -1.552 . . . . 0.0 108.559 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.01 -39.99 94.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.518 -0.739 . . . . 0.0 109.541 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.66 -33.46 71.57 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.464 -0.773 . . . . 0.0 109.738 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.77 -35.53 17.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 82.1 m-85 -105.28 -85.72 0.48 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.329 -0.857 . . . . 0.0 110.366 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.856 -1.153 . . . . 0.0 108.72 -179.459 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.66 -49.3 78.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.072 -1.018 . . . . 0.0 110.522 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.93 -31.03 68.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.11 -0.994 . . . . 0.0 110.328 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.5 -39.97 73.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.166 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -67.2 -42.25 84.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 110.483 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.9 14.77 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.071 -1.018 . . . . 0.0 110.03 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.65 -9.8 13.71 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.425 -0.797 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.65 153.15 28.56 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.843 -1.16 . . . . 0.0 109.959 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.74 160.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.81 1.673 . . . . 0.0 111.373 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.3 ptp -88.93 -19.97 25.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.964 -1.085 . . . . 0.0 109.496 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.58 -142.65 11.25 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.63 28.89 5.67 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.582 -0.952 . . . . 0.0 110.377 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.75 88.67 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 120.99 -1.069 . . . . 0.0 108.443 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.4 159.45 50.28 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.403 2.069 . . . . 0.0 112.746 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.5 p -55.7 -46.08 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.694 -0.629 . . . . 0.0 111.081 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.67 -2.9 0.36 Allowed Glycine 0 N--CA 1.492 2.423 0 O-C-N 121.33 -0.856 . . . . 0.0 110.987 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.8 m -81.0 -18.19 47.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.735 -1.45 . . . . 0.0 109.564 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.86 136.44 56.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -66.29 139.7 58.08 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.32 60.13 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -97.41 118.0 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.73 169.35 40.67 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -1.07 . . . . 0.0 110.106 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.44 -42.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.925 -1.11 . . . . 0.0 109.424 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.78 -38.76 87.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.324 -0.86 . . . . 0.0 109.709 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.84 96.24 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.24 -38.89 90.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.147 . . . . 0.0 110.602 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.91 -42.3 90.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.684 -1.26 . . . . 0.0 109.978 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.16 -39.02 91.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.044 -1.035 . . . . 0.0 109.482 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.188 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.55 -19.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 109.191 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.29 -2.06 58.39 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.82 2.03 36.75 Favored Glycine 0 N--CA 1.505 3.278 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.538 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -102.09 75.49 1.52 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.878 -1.366 . . . . 0.0 108.196 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -78.81 -12.37 60.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.528 -0.732 . . . . 0.0 110.757 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.69 159.48 42.0 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.981 -1.074 . . . . 0.0 110.137 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.25 90.3 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -57.22 -18.42 15.84 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.239 -1.538 . . . . 0.0 111.459 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.97 -33.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.494 -1.379 . . . . 0.0 108.461 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.29 -39.9 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.97 -38.49 82.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.71 -41.58 90.33 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.09 -42.81 95.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -1.176 . . . . 0.0 108.995 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.19 -0.944 . . . . 0.0 109.021 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.39 -38.76 78.13 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.22 -22.52 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.33 13.54 15.18 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.066 -1.021 . . . . 0.0 110.92 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.49 39.58 13.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.581 -1.325 . . . . 0.0 109.977 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.04 19.99 9.15 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.227 -0.921 . . . . 0.0 110.778 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -66.91 106.95 2.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.387 -1.446 . . . . 0.0 108.122 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.2 -40.64 98.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.397 -0.815 . . . . 0.0 112.426 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.2 m-20 -69.54 -39.31 77.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.764 -1.21 . . . . 0.0 109.993 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.02 -38.85 76.02 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.038 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -63.58 -50.08 70.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.195 -0.941 . . . . 0.0 109.974 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.4 mtm180 -61.4 -45.63 93.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.42 -0.8 . . . . 0.0 110.887 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.64 -36.66 83.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.108 . . . . 0.0 108.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -63.76 -46.44 85.3 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.94 -48.29 63.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.188 -0.945 . . . . 0.0 111.112 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.38 -49.06 78.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 110.576 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.02 -26.11 63.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 110.013 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -80.46 -34.21 36.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 110.902 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.61 -31.84 1.76 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.649 -1.282 . . . . 0.0 111.661 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.1 15.88 13.55 Favored Glycine 0 N--CA 1.499 2.894 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.78 2.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.126 -1.22 . . . . 0.0 109.622 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.71 172.12 8.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.235 -0.916 . . . . 0.0 110.196 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.7 75.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 110.868 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.28 73.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.696 -1.253 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.61 -40.03 88.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.328 -0.857 . . . . 0.0 110.322 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.1 m -64.11 -39.29 93.73 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.32 -0.862 . . . . 0.0 110.643 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -59.99 -38.22 81.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.71 -1.244 . . . . 0.0 109.593 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.74 -38.78 83.97 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.803 -1.185 . . . . 0.0 110.658 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.09 -39.92 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.9 -1.125 . . . . 0.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.66 -60.02 4.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.494 -1.379 . . . . 0.0 110.013 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.69 73.42 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 49.7 t -69.99 -50.15 44.47 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.172 -1.193 . . . . 0.0 109.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.74 -41.24 68.71 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.488 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.64 -40.7 95.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.363 -0.836 . . . . 0.0 110.726 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -70.19 -36.92 74.96 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.7 t90 -60.55 -45.99 91.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.52 -1.363 . . . . 0.0 108.512 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.03 -40.03 87.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.533 -0.729 . . . . 0.0 110.18 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -59.89 -31.22 69.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.067 -1.021 . . . . 0.0 109.982 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.31 -33.24 15.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.047 -1.033 . . . . 0.0 110.76 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 . . . . . 0 N--CA 1.503 2.189 0 O-C-N 121.277 -0.89 . . . . 0.0 112.067 -177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.75 -49.25 78.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 110.446 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.04 -30.98 68.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.117 -0.989 . . . . 0.0 110.281 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.46 -40.04 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.918 . . . . 0.0 110.21 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -67.21 -42.24 84.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.89 14.89 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.085 -1.01 . . . . 0.0 110.007 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.88 -9.74 13.62 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.453 -0.779 . . . . 0.0 110.505 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.57 153.07 28.54 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 120.857 -1.152 . . . . 0.0 109.905 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -42.7 160.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 121.8 1.667 . . . . 0.0 111.405 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.514 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.3 ptp -89.18 -20.04 24.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 109.398 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.62 -142.62 11.46 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.8 29.04 5.63 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -1.001 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.68 88.77 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.045 -1.035 . . . . 0.0 108.449 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.38 159.48 50.05 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.353 2.035 . . . . 0.0 112.78 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.75 -46.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.691 -0.631 . . . . 0.0 111.02 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.5 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.56 -2.99 0.35 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.6 m -81.01 -18.11 47.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.724 -1.456 . . . . 0.0 109.611 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.79 136.42 56.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.147 -0.97 . . . . 0.0 109.791 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -66.3 139.72 58.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.644 0.735 . . . . 0.0 110.11 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.31 60.14 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.43 118.14 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.72 169.38 40.73 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.98 -39.95 75.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -1.057 . . . . 0.0 110.168 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.49 -42.54 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.975 -1.078 . . . . 0.0 109.459 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.9 -38.67 86.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.298 -0.876 . . . . 0.0 109.68 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.89 96.29 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.2 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.276 -1.131 . . . . 0.0 110.629 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.83 -42.47 90.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.635 -1.291 . . . . 0.0 109.912 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.05 -39.01 90.9 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.188 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.52 -19.28 63.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.24 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.31 -2.05 58.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.567 -0.708 . . . . 0.0 110.082 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.79 1.92 36.82 Favored Glycine 0 N--CA 1.504 3.193 0 O-C-N 121.1 -1.0 . . . . 0.0 111.606 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -101.95 75.5 1.54 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.983 -1.304 . . . . 0.0 108.181 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -78.82 -12.41 60.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 110.745 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.66 159.5 41.95 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.979 -1.076 . . . . 0.0 110.134 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.18 90.74 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -57.3 -18.39 16.55 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.281 -1.512 . . . . 0.0 111.412 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -80.01 -33.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.555 -1.341 . . . . 0.0 108.42 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.21 -40.0 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.514 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.0 tp -60.03 -38.37 82.5 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.61 90.28 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.08 -42.83 95.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -1.216 . . . . 0.0 108.926 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.253 -0.904 . . . . 0.0 109.063 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.45 -38.84 77.98 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.745 -0.782 . . . . 0.0 108.895 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -22.65 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.348 -0.845 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.31 13.59 14.99 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.131 -0.981 . . . . 0.0 110.865 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.5 39.51 13.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.611 -1.306 . . . . 0.0 110.004 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.05 19.96 9.13 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.296 -0.877 . . . . 0.0 110.798 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.82 106.88 2.0 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.358 -1.464 . . . . 0.0 108.175 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -40.71 98.41 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.373 -0.829 . . . . 0.0 112.445 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.494 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.2 m-20 -69.4 -39.37 77.97 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.765 -1.209 . . . . 0.0 110.089 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.96 -38.87 76.22 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.059 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.66 -49.99 71.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.925 . . . . 0.0 109.957 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.4 mtm180 -61.46 -45.66 93.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 110.797 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.55 -36.74 83.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.884 -1.135 . . . . 0.0 108.818 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -63.81 -46.34 85.58 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.0 -48.27 63.49 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.162 -0.961 . . . . 0.0 111.136 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.39 -49.2 77.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.051 -1.03 . . . . 0.0 110.555 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -69.86 -26.17 64.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.999 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.5 m -80.36 -34.41 36.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.046 -1.034 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.4 -31.9 1.8 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.734 -1.229 . . . . 0.0 111.704 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.05 16.0 13.38 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.74 2.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.107 -1.231 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.64 172.13 8.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.234 -0.916 . . . . 0.0 110.221 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.68 75.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.541 -0.725 . . . . 0.0 110.921 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.18 73.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.575 -1.328 . . . . 0.0 110.088 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.65 -39.98 88.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 110.389 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 66.1 m -64.22 -39.22 93.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.354 -0.841 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -60.02 -38.17 81.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.787 -1.195 . . . . 0.0 109.631 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.8 -38.71 83.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.76 -1.213 . . . . 0.0 110.74 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -66.99 -40.05 87.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.793 -1.192 . . . . 0.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.64 -59.99 4.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.53 -1.356 . . . . 0.0 109.978 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -31.7 73.32 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 49.8 t -70.02 -50.14 44.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.7 -41.25 68.84 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.519 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.63 -40.8 96.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 110.631 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -70.04 -37.04 75.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.564 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.6 t90 -60.53 -46.04 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.582 -1.324 . . . . 0.0 108.482 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' B' ' 89' ' ' LEU . 88.5 m -59.96 -40.09 87.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 0.0 110.173 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.8 -31.3 69.58 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.041 -1.037 . . . . 0.0 109.971 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.3 -33.18 15.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.153 -0.967 . . . . 0.0 110.758 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.9 m-85 -111.05 2.77 18.14 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.281 -0.887 . . . . 0.0 112.003 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 85' ' ' CYS . 6.6 tp . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.77 -1.206 . . . . 0.0 109.219 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.238 0.542 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.512 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.8 t60 -58.45 -49.97 75.4 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.964 -1.085 . . . . 0.0 110.089 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 83.9 mtm180 -69.97 -32.72 71.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.251 -0.906 . . . . 0.0 110.302 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.34 -39.94 95.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 108.556 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -61.42 -52.39 64.75 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.92 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' CA ' ' A' ' 84' ' ' TRP . 27.2 m -88.79 5.79 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.238 -0.914 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -99.51 -21.0 16.12 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.881 -1.137 . . . . 0.0 109.359 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.87 152.02 36.21 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 159.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.592 1.528 . . . . 0.0 111.099 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.4 ptp -87.42 -23.85 24.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.869 -1.144 . . . . 0.0 108.837 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.91 -141.53 14.6 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.77 30.09 5.34 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.923 . . . . 0.0 110.41 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -60.01 147.97 78.6 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.9 153.97 75.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.557 2.171 . . . . 0.0 113.573 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.49 -32.27 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.33 0.586 . . . . 0.0 110.367 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.39 -4.43 51.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -83.52 -18.81 37.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.858 -1.378 . . . . 0.0 109.336 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 81' ' ' LEU . 91.6 mt -63.4 134.16 55.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 109.778 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 134.03 54.36 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.688 0.756 . . . . 0.0 109.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.72 -19.4 52.52 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -99.03 118.78 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.15 -1.206 . . . . 0.0 108.466 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.53 175.38 39.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.06 -40.05 80.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -1.052 . . . . 0.0 111.05 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.68 -41.48 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.754 -1.216 . . . . 0.0 109.356 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.02 -37.32 83.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.05 96.47 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.99 -40.07 96.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.381 -1.07 . . . . 0.0 110.707 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.04 -43.01 79.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.549 -1.344 . . . . 0.0 110.13 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.56 -39.01 89.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.893 -1.13 . . . . 0.0 108.429 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.91 -41.14 91.05 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.384 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.26 -19.59 65.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 108.686 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -90.64 1.91 56.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.52 -0.738 . . . . 0.0 109.863 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 39.02 4.06 Favored Glycine 0 N--CA 1.498 2.808 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.952 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.16 71.41 1.47 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.989 -1.301 . . . . 0.0 108.687 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -80.99 -13.17 59.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.941 . . . . 0.0 110.409 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -130.07 151.04 51.05 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.273 -0.892 . . . . 0.0 109.589 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.0 93.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.582 -0.699 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -58.28 -19.15 32.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.597 -1.314 . . . . 0.0 110.765 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -78.09 -32.58 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -75.95 -36.32 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.478 HD22 ' CE ' ' A' ' 15' ' ' MET . 23.8 tp -59.92 -38.24 81.78 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.45 98.24 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -43.6 94.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.911 -1.347 . . . . 0.0 108.843 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.98 -40.31 88.69 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -0.792 . . . . 0.0 109.101 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.13 -37.77 81.48 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.89 -29.25 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.466 -0.771 . . . . 0.0 110.445 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.66 11.84 10.02 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.015 . . . . 0.0 110.296 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 47.93 38.7 9.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.793 -1.192 . . . . 0.0 109.957 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 60.02 20.64 9.77 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.667 -0.646 . . . . 0.0 110.706 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.25 105.52 2.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.454 -1.404 . . . . 0.0 108.18 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.44 -40.04 94.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.462 -0.773 . . . . 0.0 112.349 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.26 -39.3 78.53 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.708 -1.245 . . . . 0.0 110.216 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.98 -37.81 75.85 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.27 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -63.85 -43.64 95.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.89 -47.72 84.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.999 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.44 -39.68 94.14 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.674 -1.266 . . . . 0.0 109.074 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -64.5 -47.98 76.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 111.5 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.19 -46.2 71.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.053 -1.03 . . . . 0.0 110.913 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.84 -42.06 95.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.012 -1.055 . . . . 0.0 109.762 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.02 -31.76 69.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.496 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -76.89 -36.84 56.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.427 -0.796 . . . . 0.0 111.147 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.2 p -131.92 -36.75 1.18 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.648 -1.282 . . . . 0.0 111.859 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.29 18.47 6.68 Favored Glycine 0 N--CA 1.503 3.116 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.59 152.14 5.34 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.078 -1.248 . . . . 0.0 110.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -90.95 169.97 10.45 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.791 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.98 70.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.469 -0.769 . . . . 0.0 111.003 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.04 -41.62 74.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.734 -1.229 . . . . 0.0 110.08 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 25.8 mm100 -67.17 -37.02 83.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.4 -0.813 . . . . 0.0 110.603 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -67.12 -37.71 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 110.088 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -59.89 -38.96 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.887 -1.133 . . . . 0.0 109.582 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -67.02 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.801 -1.187 . . . . 0.0 110.535 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.94 -40.01 79.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.725 -1.234 . . . . 0.0 110.496 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.24 -60.43 3.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.681 -1.262 . . . . 0.0 110.193 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.69 72.81 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.24 -51.04 41.57 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.104 -1.233 . . . . 0.0 109.977 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 23' ' ' LEU . 88.2 mt -70.72 -40.24 72.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.864 -1.148 . . . . 0.0 109.774 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.39 -42.19 99.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.123 -0.986 . . . . 0.0 110.651 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 98.4 mt-10 -70.0 -36.09 74.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.048 -1.033 . . . . 0.0 110.584 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.554 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.0 t90 -58.92 -39.69 82.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.39 -1.444 . . . . 0.0 107.828 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.51 -39.95 92.84 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.25 -37.46 83.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.558 -0.714 . . . . 0.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.2 -40.08 14.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.068 -1.02 . . . . 0.0 110.588 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.201 -0.937 . . . . 0.0 110.213 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.138 0.494 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.507 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.8 t60 -58.42 -49.98 75.33 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.019 . . . . 0.0 110.113 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 83.9 mtm180 -69.98 -32.8 71.19 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.22 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.0 108.611 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.33 -52.45 64.64 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.999 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.407 HG12 ' CA ' ' B' ' 84' ' ' TRP . 27.2 m -88.64 5.47 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.248 -0.908 . . . . 0.0 111.967 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 8' ' ' ARG . . . -99.28 -20.96 16.29 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.893 -1.13 . . . . 0.0 109.292 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.84 152.07 36.41 Favored Pre-proline 0 C--N 1.302 -1.479 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.2 158.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.581 1.521 . . . . 0.0 111.026 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -87.39 -23.79 24.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.898 -1.126 . . . . 0.0 108.787 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.94 -141.38 15.06 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -104.07 30.08 5.46 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.967 . . . . 0.0 110.3 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -59.98 147.89 78.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.9 153.98 75.88 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.538 2.159 . . . . 0.0 113.554 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.45 -32.3 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 121.347 0.594 . . . . 0.0 110.467 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.3 -4.64 51.54 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -83.27 -18.92 37.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.95 -1.323 . . . . 0.0 109.396 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' B' ' 81' ' ' LEU . 91.1 mt -63.31 134.15 55.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.829 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.81 134.05 54.54 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.55 0.691 . . . . 0.0 109.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.82 -19.59 51.59 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.13 118.95 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.532 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.67 175.46 38.82 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.17 -39.99 80.28 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.379 -1.071 . . . . 0.0 111.085 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.57 -41.45 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 109.525 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.16 -37.24 83.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 109.497 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.92 96.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.16 -39.69 95.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.203 -1.175 . . . . 0.0 110.776 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.581 -1.325 . . . . 0.0 110.134 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.65 -39.04 89.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.919 -1.113 . . . . 0.0 108.329 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.03 -40.95 91.11 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.378 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.3 -19.64 65.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.255 -0.903 . . . . 0.0 108.771 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -90.45 1.64 56.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.54 -0.725 . . . . 0.0 109.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 39.01 4.02 Favored Glycine 0 N--CA 1.5 2.903 0 O-C-N 121.119 -0.988 . . . . 0.0 110.962 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -133.08 71.32 1.47 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.964 -1.315 . . . . 0.0 108.759 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -80.73 -13.3 59.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 110.475 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.95 151.0 50.99 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.171 -0.956 . . . . 0.0 109.621 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.92 93.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.602 -0.687 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -58.32 -18.79 29.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.737 -1.227 . . . . 0.0 110.862 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.3 -32.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.96 -36.29 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 23.9 tp -60.06 -38.03 81.63 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.34 98.29 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -43.72 94.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.852 -1.381 . . . . 0.0 108.838 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.01 -40.34 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.742 . . . . 0.0 109.096 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.11 -37.7 81.44 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.04 -29.22 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.396 -0.815 . . . . 0.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.58 11.59 10.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 48.18 38.46 9.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.757 -1.214 . . . . 0.0 110.053 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.98 21.08 10.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.644 -0.66 . . . . 0.0 110.692 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.49 105.14 2.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.468 -1.395 . . . . 0.0 108.141 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.07 -40.11 95.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.407 -0.808 . . . . 0.0 112.318 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.27 -39.46 78.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.795 -1.191 . . . . 0.0 110.178 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.98 -37.85 75.85 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.2 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -63.75 -43.65 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 109.801 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -59.96 -47.27 86.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.857 . . . . 0.0 111.101 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.86 -39.72 95.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.568 -1.333 . . . . 0.0 108.968 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.5 t90 -64.4 -48.05 76.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 111.438 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.21 -46.0 71.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.002 -1.061 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.91 -42.1 95.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 109.761 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.91 -32.09 70.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.452 -0.78 . . . . 0.0 109.38 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.3 m -76.62 -37.18 56.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.395 -0.815 . . . . 0.0 111.177 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.1 p -131.75 -36.49 1.22 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.674 -1.266 . . . . 0.0 111.914 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.15 18.39 6.79 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 152.09 5.26 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.097 -1.237 . . . . 0.0 110.068 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.98 170.09 10.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.709 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.01 70.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.462 -0.774 . . . . 0.0 110.947 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.12 -41.49 73.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.687 -1.258 . . . . 0.0 110.091 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 25.9 mm100 -67.08 -37.24 83.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.338 -0.851 . . . . 0.0 110.618 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -66.89 -37.7 84.88 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.092 -1.005 . . . . 0.0 110.222 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -60.05 -39.04 84.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.437 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.93 -39.85 87.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.758 -1.214 . . . . 0.0 110.528 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.93 -40.02 79.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.715 -1.241 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.11 -60.59 3.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.654 -1.279 . . . . 0.0 110.162 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -31.75 72.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.03 -51.08 42.8 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.048 -1.266 . . . . 0.0 110.02 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' B' ' 23' ' ' LEU . 88.4 mt -70.69 -40.44 72.9 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.756 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.18 -42.28 99.13 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.068 -1.02 . . . . 0.0 110.635 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.507 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 98.5 mt-10 -69.91 -36.17 75.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.037 -1.039 . . . . 0.0 110.657 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.3 t90 -58.95 -39.66 82.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.318 -1.489 . . . . 0.0 107.768 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 63.4 m -61.54 -40.07 93.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.85 83.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.472 -0.768 . . . . 0.0 110.363 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -39.88 15.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.076 -1.015 . . . . 0.0 110.606 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.4 m-85 -103.97 -85.78 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.907 -1.121 . . . . 0.0 109.15 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.916 0.388 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -58.9 -50.16 75.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.992 -1.068 . . . . 0.0 110.065 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' A' ' 8' ' ' ARG . 21.8 mmm-85 -69.96 -33.26 71.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.243 -0.911 . . . . 0.0 110.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.12 -38.83 75.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -65.28 -45.28 85.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 110.074 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.104 -0.997 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.37 -11.47 15.53 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.406 -0.809 . . . . 0.0 110.607 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -153.98 151.85 25.52 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 109.336 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -40.16 162.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.258 0 C-N-CA 121.956 1.77 . . . . 0.0 111.854 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.534 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -89.84 -25.99 20.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.87 -138.77 29.56 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.53 29.67 6.34 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.49 -1.006 . . . . 0.0 110.366 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -60.86 149.53 80.21 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.976 -1.078 . . . . 0.0 108.703 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.07 156.83 64.6 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.399 2.066 . . . . 0.0 112.8 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -55.14 -44.64 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.749 -0.595 . . . . 0.0 110.63 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.39 -4.24 0.8 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 20' ' ' VAL . 67.6 m -80.99 -20.59 41.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.758 -1.436 . . . . 0.0 109.446 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.21 136.64 57.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 110.012 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 136.94 57.43 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.21 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.91 -18.01 56.46 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.9 117.01 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.364 -1.08 . . . . 0.0 108.093 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.06 174.34 38.76 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.05 -40.14 80.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -1.093 . . . . 0.0 110.586 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -42.02 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.829 -1.169 . . . . 0.0 109.528 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.49 -38.15 83.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.294 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.94 -37.2 92.27 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.85 -40.02 95.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.359 -1.083 . . . . 0.0 110.658 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.63 -44.04 83.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.544 -1.347 . . . . 0.0 109.689 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.912 -1.117 . . . . 0.0 109.236 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.11 -41.58 96.95 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.652 -0.655 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.08 -21.96 65.85 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 109.624 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.11 2.41 55.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.192 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.61 3.85 32.42 Favored Glycine 0 N--CA 1.506 3.342 0 O-C-N 120.832 -1.168 . . . . 0.0 112.105 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.09 74.51 1.21 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.731 -1.452 . . . . 0.0 108.852 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -80.14 -10.74 59.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.705 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -137.03 158.17 45.07 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.966 -1.084 . . . . 0.0 110.459 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -40.55 89.48 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.79 -18.75 34.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.219 -1.551 . . . . 0.0 110.99 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -79.15 -35.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.556 -1.34 . . . . 0.0 107.926 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.07 -39.4 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD22 ' CE ' ' A' ' 15' ' ' MET . 54.2 tp -59.97 -39.02 84.24 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.57 -43.83 53.32 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.12 -40.89 91.27 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.211 -1.17 . . . . 0.0 108.862 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.4 -39.9 88.99 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.211 -0.93 . . . . 0.0 108.526 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' B' ' 50' ' ' LEU . 73.6 mt -67.36 -39.75 85.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.78 -31.18 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.432 -0.792 . . . . 0.0 110.597 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.55 15.55 7.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 110.097 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 48.06 39.35 11.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.939 -1.101 . . . . 0.0 110.296 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 60.06 20.01 9.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.456 -0.777 . . . . 0.0 110.66 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.38 114.31 5.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.646 -1.284 . . . . 0.0 108.187 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.99 -42.66 94.31 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.0 m-20 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.446 -1.409 . . . . 0.0 110.678 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.74 -38.86 76.98 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.034 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.64 -49.97 71.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.175 -0.953 . . . . 0.0 109.954 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 82.4 mtm180 -60.05 -43.77 95.15 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.249 -0.907 . . . . 0.0 110.491 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.59 -37.48 87.47 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.958 -1.089 . . . . 0.0 108.929 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.405 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -63.92 -47.32 81.0 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.435 -0.791 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.26 -48.29 65.47 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 110.572 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.1 -47.29 86.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.156 -0.965 . . . . 0.0 109.914 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.9 t0 -69.22 -29.74 67.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.526 -0.734 . . . . 0.0 109.563 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -78.8 -35.21 44.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 0.0 111.137 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.42 -28.95 2.04 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.12 14.6 22.16 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.87 1.64 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.159 -1.2 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -90.67 172.43 8.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.059 -1.026 . . . . 0.0 110.203 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.53 75.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.645 -0.659 . . . . 0.0 110.468 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.07 -40.37 71.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.786 -1.196 . . . . 0.0 109.742 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.68 -38.36 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.398 -0.814 . . . . 0.0 110.422 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -66.42 -38.55 87.7 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.062 -1.024 . . . . 0.0 110.275 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.01 -37.08 78.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.858 -1.151 . . . . 0.0 109.467 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.0 -38.8 83.06 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.769 -1.207 . . . . 0.0 110.448 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.4 -39.94 81.47 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.805 -1.184 . . . . 0.0 109.908 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.99 -60.9 3.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.807 -1.183 . . . . 0.0 110.147 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.16 -33.05 82.76 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.0 t -69.81 -48.96 57.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.99 -40.04 75.56 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.763 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -61.9 -39.99 93.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.165 -0.96 . . . . 0.0 109.897 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -69.04 -39.0 79.46 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 110.409 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.8 t90 -60.7 -44.59 96.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.37 -1.456 . . . . 0.0 108.495 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.2 m -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.923 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.62 -32.73 70.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 110.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.16 -33.22 14.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.195 -0.941 . . . . 0.0 111.378 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.9 m-85 . . . . . 0 N--CA 1.504 2.272 0 O-C-N 121.192 -0.942 . . . . 0.0 112.617 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.958 0.408 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -58.76 -50.13 75.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.128 . . . . 0.0 110.151 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.429 HH11 ' HG3' ' B' ' 8' ' ' ARG . 21.8 mmm-85 -70.04 -33.2 71.66 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.17 -0.956 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -38.91 75.91 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.334 -0.854 . . . . 0.0 110.093 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.26 -45.19 85.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 110.036 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 109.803 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.57 -11.23 15.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.413 -0.804 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.07 151.73 25.14 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.882 -1.136 . . . . 0.0 109.357 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -40.24 162.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 121.929 1.753 . . . . 0.0 111.888 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.537 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -89.87 -25.65 20.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.45 -138.8 27.71 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.34 29.63 6.3 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.456 -1.026 . . . . 0.0 110.426 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -60.72 149.43 79.54 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 108.755 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.87 156.75 64.72 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.468 2.112 . . . . 0.0 112.885 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.469 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.3 p -55.06 -44.83 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.636 -0.665 . . . . 0.0 110.562 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.469 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.22 -4.19 0.74 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 67.0 m -81.19 -20.52 41.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.822 -1.399 . . . . 0.0 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 136.7 57.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.951 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 136.9 57.37 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.241 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.84 -17.75 56.9 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.8 mm -99.02 116.9 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.308 -1.113 . . . . 0.0 108.103 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.95 174.23 38.82 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.87 -40.35 79.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 0.0 110.55 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -41.95 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.78 -1.2 . . . . 0.0 109.582 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.38 -38.24 84.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 109.323 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.31 92.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.64 -39.9 95.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.49 -1.006 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.72 -44.0 82.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.584 -1.323 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.53 -40.11 95.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.852 -1.155 . . . . 0.0 109.225 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.4 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.87 -22.05 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.229 -0.919 . . . . 0.0 109.559 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.1 2.54 55.15 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.286 -0.884 . . . . 0.0 111.244 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 3.99 32.77 Favored Glycine 0 N--CA 1.506 3.355 0 O-C-N 120.907 -1.121 . . . . 0.0 112.127 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.22 74.46 1.19 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.729 -1.454 . . . . 0.0 108.854 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -80.06 -10.69 59.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.415 -0.803 . . . . 0.0 110.782 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -137.06 158.18 45.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.02 -1.05 . . . . 0.0 110.523 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.67 89.84 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.69 -18.93 35.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.279 -1.513 . . . . 0.0 110.998 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.95 -35.06 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.635 -1.29 . . . . 0.0 107.942 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.15 -39.34 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.537 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.4 tp -59.96 -39.14 84.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.34 -43.95 52.08 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.07 -40.85 90.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.217 -1.167 . . . . 0.0 108.815 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -60.46 -39.74 88.66 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 50' ' ' LEU . 73.9 mt -67.45 -39.88 85.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.74 -31.03 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.425 -0.797 . . . . 0.0 110.548 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 15.86 7.62 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.128 -0.982 . . . . 0.0 110.049 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 47.78 39.33 10.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.934 -1.104 . . . . 0.0 110.328 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.0 19.99 9.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.436 -0.79 . . . . 0.0 110.69 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.28 114.41 5.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.548 -1.345 . . . . 0.0 108.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.05 -42.66 94.04 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 95.9 m-20 -70.01 -39.97 75.53 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.564 -1.335 . . . . 0.0 110.64 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.87 -38.83 76.54 Favored 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.017 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.59 -49.92 71.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 110.04 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.47 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.4 mtm180 -60.04 -43.9 95.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.229 -0.919 . . . . 0.0 110.474 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.43 -37.48 87.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.945 -1.097 . . . . 0.0 108.93 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -64.11 -47.15 81.11 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.487 -0.758 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.31 -48.27 65.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 110.539 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.11 -47.08 87.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.977 . . . . 0.0 109.905 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 38.4 t0 -69.59 -29.57 67.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.452 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.9 m -78.78 -35.27 44.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 111.094 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.35 -29.18 2.03 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.684 -1.26 . . . . 0.0 111.952 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.15 14.77 21.7 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.93 153.8 1.68 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.099 -1.236 . . . . 0.0 109.447 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -90.64 172.4 8.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.992 -1.068 . . . . 0.0 110.146 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.43 75.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.566 -0.709 . . . . 0.0 110.362 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.21 -40.36 71.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.762 -1.211 . . . . 0.0 109.765 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.64 -38.41 83.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.446 -0.784 . . . . 0.0 110.45 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.0 p -66.35 -38.61 88.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.176 -0.952 . . . . 0.0 110.233 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -60.02 -37.09 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.832 -1.167 . . . . 0.0 109.508 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.0 -38.8 83.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.7 -1.25 . . . . 0.0 110.414 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.35 -39.97 81.66 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.726 -1.234 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.1 -60.77 3.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.821 -1.174 . . . . 0.0 110.196 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.03 82.89 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.61 -49.16 56.63 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.128 -1.219 . . . . 0.0 109.97 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.93 -39.98 75.81 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.896 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -61.8 -40.0 93.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.3 -0.875 . . . . 0.0 109.929 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.11 -39.03 79.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.149 -0.969 . . . . 0.0 110.364 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.8 t90 -60.73 -44.55 96.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.389 -1.444 . . . . 0.0 108.535 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' B' ' 89' ' ' LEU . 56.8 m -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.48 -0.762 . . . . 0.0 109.888 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.68 -32.76 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.267 -0.895 . . . . 0.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.13 -33.3 14.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.243 -0.91 . . . . 0.0 111.371 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.2 m-85 -111.72 0.03 16.14 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.256 -0.902 . . . . 0.0 112.58 -177.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 85' ' ' CYS . 10.6 tp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 120.726 -1.233 . . . . 0.0 109.292 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.509 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 71.0 t60 -59.39 -51.02 71.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.097 -1.002 . . . . 0.0 110.847 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -69.9 -31.98 70.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 109.883 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -70.43 -39.94 74.09 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.453 -0.779 . . . . 0.0 110.135 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -43.32 84.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.198 -0.939 . . . . 0.0 110.504 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.0 14.63 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.914 -1.116 . . . . 0.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 -11.09 12.02 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.538 -0.726 . . . . 0.0 110.76 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.81 152.45 27.01 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 120.821 -1.175 . . . . 0.0 109.282 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -41.98 161.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.917 1.745 . . . . 0.0 112.087 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.511 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.88 -20.62 22.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.79 -140.53 15.77 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -105.15 28.34 7.36 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.511 -0.993 . . . . 0.0 110.22 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.81 148.52 82.68 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 120.852 -1.155 . . . . 0.0 108.488 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.9 156.48 61.98 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.408 2.072 . . . . 0.0 112.473 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.26 -43.95 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.633 -0.667 . . . . 0.0 110.39 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.97 -4.57 0.45 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . 52.5 m -81.86 -19.71 40.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.707 -1.466 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.94 136.75 57.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.86 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 136.03 56.65 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.869 -0.733 . . . . 0.0 109.649 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.64 -16.26 58.93 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.14 117.57 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.188 -1.184 . . . . 0.0 108.208 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.59 173.18 36.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.28 -40.01 73.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -1.053 . . . . 0.0 110.664 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.03 -41.62 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.41 -38.25 84.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.66 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.84 93.43 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -65.84 -39.92 91.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.299 -1.118 . . . . 0.0 110.951 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -66.96 -42.51 85.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.656 -1.278 . . . . 0.0 109.532 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.64 -39.9 95.51 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.033 -1.042 . . . . 0.0 109.276 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.0 -40.2 88.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.665 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.11 -19.29 65.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 109.008 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.17 2.46 56.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.437 -0.789 . . . . 0.0 110.519 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.62 5.91 44.59 Favored Glycine 0 N--CA 1.503 3.145 0 O-C-N 121.052 -1.03 . . . . 0.0 111.924 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.68 73.91 1.11 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.731 -1.452 . . . . 0.0 109.018 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -81.81 -12.52 58.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.3 151.39 50.86 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.19 90.58 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.413 -0.804 . . . . 0.0 112.022 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -58.37 -19.28 34.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.545 -1.347 . . . . 0.0 110.69 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -79.18 -32.95 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.676 -1.265 . . . . 0.0 107.744 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.86 -38.76 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' HE3' ' A' ' 15' ' ' MET . 46.6 tp -59.92 -37.06 78.37 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.88 95.44 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.14 -45.29 93.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.035 -1.273 . . . . 0.0 109.556 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 108.688 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.2 -39.14 82.51 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.8 -0.76 . . . . 0.0 108.99 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.96 -25.73 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 110.503 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.09 16.6 6.91 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.443 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.3 33.4 7.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.985 -1.072 . . . . 0.0 109.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.69 20.79 10.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.403 -0.811 . . . . 0.0 110.453 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -66.37 114.76 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.66 -1.275 . . . . 0.0 107.878 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.46 -41.24 96.63 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.3 -0.875 . . . . 0.0 112.405 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.22 -40.03 78.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.555 -1.341 . . . . 0.0 109.784 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.98 -40.05 75.57 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.149 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -64.96 -50.04 67.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.193 -0.942 . . . . 0.0 109.673 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -60.03 -46.32 89.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.81 -36.23 82.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.832 -1.168 . . . . 0.0 108.836 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.421 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.09 -46.61 83.47 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.389 -0.819 . . . . 0.0 111.102 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -70.13 -50.69 38.05 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.25 -47.04 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.036 -1.04 . . . . 0.0 110.019 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.79 65.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 0.0 109.728 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 49.0 m -81.05 -33.44 33.48 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.189 -0.945 . . . . 0.0 111.622 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 p -131.47 -28.4 1.86 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.414 -1.429 . . . . 0.0 112.059 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.86 14.31 21.45 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 153.25 2.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.302 . . . . 0.0 109.021 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -90.26 171.44 9.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 110.273 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.81 73.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.714 -0.616 . . . . 0.0 110.168 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.32 -41.57 73.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.772 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 110.535 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.0 m -64.71 -39.98 94.57 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.108 -0.995 . . . . 0.0 110.692 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.37 -37.32 80.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.762 -1.211 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -67.46 -39.95 85.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.636 -1.29 . . . . 0.0 111.032 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.86 -39.96 79.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.888 -1.133 . . . . 0.0 110.855 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.44 -60.59 3.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.537 -1.352 . . . . 0.0 110.098 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.24 -30.66 71.36 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.3 t -69.02 -51.32 40.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -1.205 . . . . 0.0 109.796 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.17 -40.44 71.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.01 -1.056 . . . . 0.0 109.371 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.34 -40.68 95.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.798 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 93.6 mt-10 -69.98 -37.75 75.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 110.515 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.599 -1.313 . . . . 0.0 109.185 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.0 m -60.95 -40.02 91.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.175 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.32 -28.11 67.87 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.707 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.66 12.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.25 -0.906 . . . . 0.0 111.295 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.8 m-85 . . . . . 0 N--CA 1.505 2.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.048 0.452 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.508 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 71.0 t60 -59.65 -50.92 72.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.149 -0.97 . . . . 0.0 110.823 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -70.04 -31.81 69.63 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.919 -1.113 . . . . 0.0 109.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.56 -39.88 73.68 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.594 -0.691 . . . . 0.0 110.016 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.69 -43.34 84.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -0.944 . . . . 0.0 110.498 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.02 14.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.949 -1.095 . . . . 0.0 109.394 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.45 -11.15 11.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.576 -0.703 . . . . 0.0 110.723 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.73 152.48 27.2 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 120.889 -1.132 . . . . 0.0 109.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.06 161.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.913 1.742 . . . . 0.0 112.116 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.2 ptp -90.96 -20.42 22.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.235 -0.916 . . . . 0.0 109.403 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.47 -140.62 13.91 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.04 28.51 7.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.456 -1.026 . . . . 0.0 110.23 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -61.09 148.57 84.26 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 120.875 -1.141 . . . . 0.0 108.458 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.0 156.46 62.49 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.36 2.04 . . . . 0.0 112.53 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.35 -43.72 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.586 -0.697 . . . . 0.0 110.409 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.18 -4.33 0.47 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' VAL . 52.5 m -81.99 -19.92 39.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.717 -1.461 . . . . 0.0 109.248 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.84 136.72 57.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.175 -0.953 . . . . 0.0 109.781 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.57 136.11 56.68 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.661 0.743 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.56 -16.31 58.96 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -99.09 117.52 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.129 -1.218 . . . . 0.0 108.221 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.16 36.9 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.4 -39.99 73.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -1.069 . . . . 0.0 110.674 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.98 -41.64 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.864 -1.147 . . . . 0.0 109.815 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.3 -38.38 84.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.324 -0.86 . . . . 0.0 109.625 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -37.95 93.51 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.67 -40.04 91.96 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 110.923 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -66.82 -42.49 85.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.673 -1.267 . . . . 0.0 109.619 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.75 -39.79 95.13 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.306 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.98 -40.26 88.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.756 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.03 -19.31 65.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.272 -0.893 . . . . 0.0 108.998 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.22 2.71 56.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.519 -0.738 . . . . 0.0 110.528 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.35 5.93 45.36 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 121.027 -1.046 . . . . 0.0 111.922 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.82 73.92 1.1 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.699 -1.471 . . . . 0.0 109.0 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 30.2 p-10 -81.91 -12.36 58.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.982 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.45 151.35 51.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.07 90.09 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.425 -0.797 . . . . 0.0 112.008 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -58.37 -19.4 35.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.447 -1.408 . . . . 0.0 110.638 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -79.13 -32.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.628 -1.295 . . . . 0.0 107.775 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.01 -38.66 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.5 tp -59.92 -37.35 79.21 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.36 -41.11 94.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -60.07 -45.27 93.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.136 -1.214 . . . . 0.0 109.412 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.02 -39.94 87.58 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.856 . . . . 0.0 108.752 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.89 -25.58 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.221 -0.924 . . . . 0.0 110.627 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.26 16.8 6.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.953 -1.092 . . . . 0.0 109.469 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.0 33.57 6.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.025 . . . . 0.0 110.004 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.73 20.45 10.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.464 -0.773 . . . . 0.0 110.461 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -66.13 114.83 5.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.708 -1.245 . . . . 0.0 107.805 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.45 -41.37 96.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.266 -0.896 . . . . 0.0 112.462 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.09 -39.99 78.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.516 -1.365 . . . . 0.0 109.803 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.05 -40.0 75.36 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.173 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.0 -50.03 67.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.666 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -60.07 -46.49 89.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.417 -0.802 . . . . 0.0 110.777 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.74 -36.06 81.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.888 -1.133 . . . . 0.0 108.768 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.426 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -64.3 -46.45 83.53 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.491 -0.756 . . . . 0.0 111.081 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -70.15 -50.73 37.47 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.049 -1.032 . . . . 0.0 110.308 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.22 -47.09 87.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.995 . . . . 0.0 110.034 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.81 65.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.855 . . . . 0.0 109.772 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 48.8 m -81.01 -33.39 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 111.732 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.34 -28.66 1.87 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.463 -1.398 . . . . 0.0 112.078 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.05 14.45 20.74 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.58 153.37 2.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.004 -1.292 . . . . 0.0 108.993 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -90.33 171.36 9.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.052 -1.03 . . . . 0.0 110.256 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.6 73.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.705 -0.622 . . . . 0.0 110.134 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -70.39 -41.63 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.876 -1.14 . . . . 0.0 109.768 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -40.02 84.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.264 -0.898 . . . . 0.0 110.468 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -64.54 -40.02 94.82 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.065 -1.022 . . . . 0.0 110.667 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.61 -37.11 80.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.777 -1.202 . . . . 0.0 110.151 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.62 -39.98 84.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.564 -1.335 . . . . 0.0 111.027 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.79 -40.03 79.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.833 -1.167 . . . . 0.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.54 -60.44 3.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.602 -1.312 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.35 -30.49 71.39 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.14 -51.19 40.8 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.285 -1.126 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.25 -40.2 71.15 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.436 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.54 -40.62 95.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 93.6 mt-10 -70.03 -37.85 75.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 110.47 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.6 t90 -62.74 -43.62 98.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.652 -1.28 . . . . 0.0 109.211 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.93 -40.05 91.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.256 -0.902 . . . . 0.0 110.176 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.26 -28.08 67.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.97 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.19 -35.75 12.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.182 -0.949 . . . . 0.0 111.174 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.37 -9.82 14.24 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 N--CA 1.505 2.32 0 O-C-N 120.243 -1.536 . . . . 0.0 109.457 -179.715 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.958 0.409 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.505 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 74.0 t60 -59.33 -49.61 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.953 -1.092 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.481 ' HG2' HH11 ' A' ' 8' ' ' ARG . 30.1 mtt-85 -69.85 -32.1 70.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.02 -39.93 72.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.409 -0.807 . . . . 0.0 110.173 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.63 -42.69 91.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.349 -0.845 . . . . 0.0 110.201 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.5 m -82.61 15.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.96 -8.88 12.48 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.588 -0.695 . . . . 0.0 110.39 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.09 154.09 28.22 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 120.814 -1.179 . . . . 0.0 109.716 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.92 162.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.097 1.865 . . . . 0.0 112.121 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.539 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.1 ptp -94.67 -21.84 18.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -139.78 34.43 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.51 30.33 5.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -1.059 . . . . 0.0 109.967 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.68 148.24 67.96 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 120.965 -1.084 . . . . 0.0 108.717 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.28 155.25 66.56 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.489 2.126 . . . . 0.0 112.579 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.4 p -52.8 -43.23 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.632 -0.667 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.89 -2.97 2.93 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 p -82.11 -26.25 33.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.921 -1.341 . . . . 0.0 108.856 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.03 138.88 58.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.645 0.736 . . . . 0.0 109.236 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 136.6 57.31 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.784 0.802 . . . . 0.0 110.136 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.98 51.38 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.2 mm -99.02 119.98 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.127 -1.22 . . . . 0.0 108.393 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.69 176.26 37.88 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.676 -1.369 . . . . 0.0 109.676 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.49 -39.94 81.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.487 -1.008 . . . . 0.0 110.481 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.843 -1.161 . . . . 0.0 109.697 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.3 mt -65.54 -36.62 84.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.621 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -39.92 96.93 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -62.97 -39.88 96.01 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.318 -1.107 . . . . 0.0 110.587 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -66.99 -47.58 71.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.763 -1.21 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.41 -39.92 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.109 -0.994 . . . . 0.0 108.483 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.07 -40.71 90.47 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.501 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.68 -20.98 65.36 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 0.0 108.877 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 37' ' ' ARG . 55.4 mtt-85 -89.81 3.06 54.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.288 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.72 5.28 45.11 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.985 -1.072 . . . . 0.0 111.965 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.87 75.61 1.2 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.715 -1.462 . . . . 0.0 109.157 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -83.5 -10.57 58.25 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 45.6 mmtm -130.89 152.34 50.33 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.125 -0.985 . . . . 0.0 109.489 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.63 93.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 111.271 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 24.7 p90 -58.64 -19.92 43.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.679 -1.263 . . . . 0.0 111.269 -177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -79.86 -33.72 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.462 -1.399 . . . . 0.0 107.919 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.99 -37.36 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD22 ' CE ' ' A' ' 15' ' ' MET . 20.2 tp -59.99 -37.91 81.02 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.5 -42.32 95.86 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.43 -44.97 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -1.232 . . . . 0.0 108.885 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.03 -38.62 82.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.0 -21.16 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.504 -0.747 . . . . 0.0 111.362 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.67 14.97 13.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.883 -1.136 . . . . 0.0 111.058 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.3 mttm 49.82 39.43 18.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.654 -1.278 . . . . 0.0 110.201 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.95 19.58 8.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.23 -0.919 . . . . 0.0 109.712 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -70.19 106.85 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.423 -1.423 . . . . 0.0 108.884 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.95 -39.98 95.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.504 -0.747 . . . . 0.0 112.151 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.1 m-20 -68.06 -39.94 82.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.444 -1.41 . . . . 0.0 109.741 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.02 -39.63 75.7 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.178 -1.009 . . . . 0.0 108.806 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.29 -49.94 67.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.0 mtm180 -60.19 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.117 -0.989 . . . . 0.0 110.918 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -64.58 -35.15 80.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.5 -1.375 . . . . 0.0 108.923 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.01 -47.83 78.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.13 -0.981 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.44 -51.04 48.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.034 -1.041 . . . . 0.0 110.454 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -46.63 88.94 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.626 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.49 -29.06 66.63 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.451 -0.781 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.2 m -80.32 -32.4 37.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 111.239 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.63 -30.75 1.24 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.59 -1.319 . . . . 0.0 111.929 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.49 15.32 13.95 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.17 152.62 2.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.08 -1.247 . . . . 0.0 109.491 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -90.26 171.39 9.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.158 -0.964 . . . . 0.0 110.055 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -34.53 73.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.612 -0.68 . . . . 0.0 110.497 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.57 -40.92 73.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.874 -1.141 . . . . 0.0 109.908 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.39 -38.41 84.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.337 -0.852 . . . . 0.0 110.909 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.8 m -68.13 -37.71 81.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.18 -0.95 . . . . 0.0 110.282 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.99 -38.34 82.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.656 -1.277 . . . . 0.0 109.779 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.93 -39.34 79.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.656 -1.278 . . . . 0.0 111.085 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.553 -1.342 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.86 -59.78 4.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.548 -1.345 . . . . 0.0 110.253 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.75 -31.24 70.98 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.0 t -69.48 -48.76 59.69 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.221 -1.164 . . . . 0.0 110.092 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.0 -40.05 75.52 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.634 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -62.43 -40.11 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.289 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -69.94 -39.07 76.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.983 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -63.0 -46.24 88.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.357 -1.464 . . . . 0.0 109.293 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.5 m -60.98 -40.27 92.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 0.0 110.253 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.28 -27.29 65.7 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.058 -1.027 . . . . 0.0 109.138 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.9 -35.49 12.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.214 -0.929 . . . . 0.0 111.14 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 . . . . . 0 N--CA 1.506 2.342 0 O-C-N 121.23 -0.919 . . . . 0.0 113.038 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.012 0.434 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.509 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.9 t60 -59.35 -49.53 77.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 110.421 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' B' ' 8' ' ' ARG . 30.4 mtt-85 -69.95 -31.97 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.219 -0.926 . . . . 0.0 109.827 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.06 -39.94 71.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.378 -0.826 . . . . 0.0 110.158 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.75 -42.69 90.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 110.153 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.42 15.54 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.766 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.82 -8.76 12.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.561 -0.712 . . . . 0.0 110.325 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.17 154.03 28.01 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.88 -1.137 . . . . 0.0 109.744 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.93 162.32 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.119 1.879 . . . . 0.0 112.186 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.535 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.9 ptp -94.67 -21.82 18.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.152 -0.967 . . . . 0.0 110.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.7 -139.76 35.2 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.74 30.67 5.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.381 -1.07 . . . . 0.0 109.847 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.81 148.19 69.51 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 120.967 -1.083 . . . . 0.0 108.782 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.21 155.39 65.5 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.451 2.101 . . . . 0.0 112.634 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.4 p -52.93 -43.29 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.663 -0.648 . . . . 0.0 110.323 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.432 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.82 -3.0 2.89 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.7 p -81.93 -26.38 34.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.918 -1.342 . . . . 0.0 108.961 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.93 138.98 58.13 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.611 0.72 . . . . 0.0 109.213 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 136.67 57.34 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.724 0.773 . . . . 0.0 110.107 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.55 -19.85 51.96 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.23 119.98 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.048 -1.266 . . . . 0.0 108.376 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.63 176.31 38.03 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.37 -40.02 81.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.438 -1.037 . . . . 0.0 110.601 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.81 -44.35 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.948 -1.095 . . . . 0.0 109.752 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.5 -36.64 84.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 109.623 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.0 96.93 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.89 -39.98 96.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.202 -1.175 . . . . 0.0 110.54 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.03 -47.54 71.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.652 -1.28 . . . . 0.0 109.745 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -40.02 89.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.117 -0.99 . . . . 0.0 108.415 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.04 -40.63 90.07 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.538 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 108.818 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 37' ' ' ARG . 55.4 mtt-85 -89.8 2.8 54.48 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.766 . . . . 0.0 110.18 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 5.15 44.54 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.071 -1.018 . . . . 0.0 111.989 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.68 75.46 1.21 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.777 -1.425 . . . . 0.0 109.255 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 36.2 p-10 -83.41 -10.91 58.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.349 -0.844 . . . . 0.0 110.799 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 45.7 mmtm -130.61 152.45 49.97 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.66 93.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 111.271 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 23.8 p90 -58.64 -19.81 42.24 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.632 -1.293 . . . . 0.0 111.288 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 t -79.83 -33.75 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.395 -1.441 . . . . 0.0 107.997 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -75.99 -37.24 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE ' ' B' ' 15' ' ' MET . 19.9 tp -60.06 -37.83 81.03 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.19 95.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.71 -44.81 96.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.025 -1.279 . . . . 0.0 108.871 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.08 -38.34 82.25 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.17 -21.22 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.456 -0.777 . . . . 0.0 111.302 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -91.64 14.84 13.97 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.785 -1.197 . . . . 0.0 110.989 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 49.9 39.38 18.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.619 -1.3 . . . . 0.0 110.313 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.84 19.9 8.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 109.819 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -70.41 106.52 3.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.626 -1.296 . . . . 0.0 108.91 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.65 -40.01 95.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.1 m-20 -68.17 -39.96 82.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.585 -1.322 . . . . 0.0 109.724 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.97 -39.7 75.81 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.777 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.14 -49.92 68.0 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.766 . . . . 0.0 109.721 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.0 mtm180 -60.45 -47.83 84.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.184 -0.948 . . . . 0.0 110.99 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -64.79 -35.13 80.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.537 -1.352 . . . . 0.0 108.836 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.8 t90 -63.92 -47.96 78.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.38 -50.96 49.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.035 -1.041 . . . . 0.0 110.47 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.09 -46.69 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.331 -0.855 . . . . 0.0 109.661 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 -29.08 66.65 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.535 -0.728 . . . . 0.0 109.667 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 40.0 m -80.31 -32.28 38.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.85 . . . . 0.0 111.287 -178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.8 -30.61 1.23 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.57 -1.332 . . . . 0.0 111.926 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.42 15.13 14.41 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.08 152.51 2.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.181 -1.187 . . . . 0.0 109.587 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.14 171.45 9.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.133 -0.979 . . . . 0.0 110.169 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.75 73.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.536 -0.727 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.36 -40.77 73.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.832 -1.167 . . . . 0.0 110.023 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.47 -38.74 84.89 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.858 . . . . 0.0 110.748 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -67.85 -37.93 82.48 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 110.318 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.93 -38.42 82.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.69 -1.256 . . . . 0.0 109.737 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -68.75 -39.27 80.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.526 -1.359 . . . . 0.0 111.189 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.25 -40.07 78.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.54 -1.35 . . . . 0.0 110.657 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.69 -59.95 4.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.523 -1.361 . . . . 0.0 110.303 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.6 -31.31 70.6 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.44 -48.85 59.64 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.228 -1.16 . . . . 0.0 110.031 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.675 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.987 -1.07 . . . . 0.0 110.247 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -38.93 76.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 0.0 110.958 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -63.06 -46.3 88.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.464 -1.397 . . . . 0.0 109.266 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.12 -40.11 92.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.34 -27.36 65.86 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.77 -35.62 12.68 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.379 -0.826 . . . . 0.0 111.143 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.3 m-85 -111.64 -6.92 14.31 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.224 -0.923 . . . . 0.0 113.175 -176.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.255 -1.528 . . . . 0.0 109.435 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.15 0.5 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.12 -50.0 75.73 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.068 -1.02 . . . . 0.0 110.349 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.02 -33.25 71.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.043 -1.036 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.6 -36.75 68.18 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.08 -41.47 86.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.193 -0.942 . . . . 0.0 110.136 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.62 17.06 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.19 -0.944 . . . . 0.0 109.91 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -6.07 10.02 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.556 -0.715 . . . . 0.0 110.226 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -152.69 151.27 26.45 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 120.89 -1.131 . . . . 0.0 109.638 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -43.3 159.03 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.905 1.737 . . . . 0.0 111.887 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.649 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -93.67 -27.1 16.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.059 -1.025 . . . . 0.0 109.401 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.93 -136.03 45.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.19 30.04 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.492 -1.005 . . . . 0.0 110.624 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.05 148.47 77.54 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 154.42 73.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.206 1.938 . . . . 0.0 112.67 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 21' ' ' GLY . 12.0 p -53.34 -45.8 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.716 -0.615 . . . . 0.0 110.797 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.584 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.96 -3.18 1.55 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.7 t -81.91 -21.12 37.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.947 -1.325 . . . . 0.0 108.803 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.29 139.98 58.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.473 -0.767 . . . . 0.0 109.247 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 134.82 56.03 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.355 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.96 -20.01 50.83 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.34 117.94 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.028 -1.278 . . . . 0.0 108.238 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.16 175.53 36.48 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 120.638 -1.289 . . . . 0.0 110.138 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.04 -40.07 79.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.534 -0.98 . . . . 0.0 110.704 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.44 -43.52 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.814 -1.178 . . . . 0.0 109.598 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.19 -35.81 81.42 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 109.596 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.94 96.26 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.54 -38.82 90.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.257 -1.143 . . . . 0.0 110.777 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.16 -48.04 69.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.737 -1.227 . . . . 0.0 109.791 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -38.37 85.47 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -41.74 92.62 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.614 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -67.61 -18.97 65.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 0.0 108.772 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.04 57.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.646 -0.659 . . . . 0.0 110.112 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.97 4.09 45.16 Favored Glycine 0 N--CA 1.505 3.275 0 O-C-N 121.034 -1.041 . . . . 0.0 111.973 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -104.01 75.48 1.28 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.885 -1.362 . . . . 0.0 108.925 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -82.64 -11.51 58.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -130.15 151.88 50.19 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.048 -1.032 . . . . 0.0 109.657 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.0 95.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.733 -0.604 . . . . 0.0 111.353 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -59.45 -19.25 46.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.151 . . . . 0.0 111.122 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.36 -33.51 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.491 -1.38 . . . . 0.0 107.671 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.49 -37.35 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD22 ' CE ' ' A' ' 15' ' ' MET . 22.6 tp -60.02 -38.49 82.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.33 -40.13 95.6 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.07 -42.96 95.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -1.206 . . . . 0.0 108.395 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.97 -39.19 79.6 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.13 -27.93 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.391 -0.818 . . . . 0.0 110.355 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.47 12.91 11.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.154 -0.966 . . . . 0.0 110.348 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.3 39.68 9.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.771 -1.205 . . . . 0.0 109.756 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.03 20.96 10.09 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.798 -0.563 . . . . 0.0 110.69 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.75 108.48 4.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.601 -1.312 . . . . 0.0 108.995 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.65 -40.09 95.99 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.26 -39.2 78.56 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.599 -1.313 . . . . 0.0 110.939 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.48 -37.57 77.33 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.059 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.48 -46.01 88.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 0.0 109.562 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.94 -48.81 80.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 111.105 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.33 -39.96 96.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.687 -1.258 . . . . 0.0 108.847 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.06 -48.24 77.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.161 -0.962 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.48 -44.51 82.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.057 -1.027 . . . . 0.0 110.266 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.03 -48.93 79.68 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -69.49 -28.86 66.42 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -76.91 -38.6 53.17 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.007 -1.058 . . . . 0.0 111.493 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.8 p -130.27 -29.65 2.01 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.506 -1.371 . . . . 0.0 112.35 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.83 14.11 27.85 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.551 -1.819 . . . . 0.0 108.551 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.5 1.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.24 -1.153 . . . . 0.0 109.243 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 33.5 t30 -87.95 168.94 12.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.028 -1.045 . . . . 0.0 110.519 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.24 -33.58 73.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.708 -0.62 . . . . 0.0 110.491 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -71.31 -41.28 70.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.018 -1.051 . . . . 0.0 109.808 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.49 -35.15 79.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.405 -0.809 . . . . 0.0 110.253 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -68.4 -38.57 81.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.414 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -60.35 -37.73 81.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.847 -1.158 . . . . 0.0 109.615 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.41 -38.72 81.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.685 -1.259 . . . . 0.0 110.786 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.23 -40.0 89.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.796 -1.19 . . . . 0.0 110.156 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.39 -58.9 6.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.716 -1.24 . . . . 0.0 109.847 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.32 85.0 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.81 -50.78 54.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.83 -1.394 . . . . 0.0 109.908 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.95 -39.81 75.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.357 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.95 -40.03 96.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.109 -0.994 . . . . 0.0 110.766 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.25 -39.39 78.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.92 -1.112 . . . . 0.0 110.584 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.0 t90 -60.35 -44.26 95.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.702 -1.249 . . . . 0.0 108.699 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 m -60.04 -40.5 89.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.364 -0.835 . . . . 0.0 109.775 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.27 -31.86 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -0.881 . . . . 0.0 110.052 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.82 -36.36 18.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.129 -0.982 . . . . 0.0 110.363 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.1 m-85 . . . . . 0 N--CA 1.496 1.854 0 O-C-N 121.468 -0.77 . . . . 0.0 110.37 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.092 0.472 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -59.16 -50.04 75.58 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.11 -0.993 . . . . 0.0 110.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.04 -33.17 71.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 110.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.59 -36.92 68.25 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -66.97 -41.46 86.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -0.916 . . . . 0.0 110.136 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.69 17.2 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 -6.13 9.98 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.495 -0.753 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -152.68 151.29 26.5 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 120.864 -1.147 . . . . 0.0 109.647 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -43.27 158.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.846 1.697 . . . . 0.0 111.878 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.645 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.2 ptp -93.46 -27.01 16.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.043 -1.036 . . . . 0.0 109.475 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.69 -136.08 45.01 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.12 30.04 6.55 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.481 -1.011 . . . . 0.0 110.623 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.0 148.5 77.1 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.862 -1.149 . . . . 0.0 108.06 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.15 154.44 73.46 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.244 1.963 . . . . 0.0 112.682 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 21' ' ' GLY . 12.0 p -53.24 -45.79 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.75 -0.594 . . . . 0.0 110.773 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -59.01 -3.09 1.52 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.418 ' H ' ' C ' ' B' ' 20' ' ' VAL . 23.7 t -82.03 -21.14 37.12 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.889 -1.359 . . . . 0.0 108.818 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.36 140.02 58.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.416 -0.802 . . . . 0.0 109.199 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.73 134.7 55.81 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.41 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.97 50.94 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 109.989 -1.245 . . . . 0.0 109.989 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.36 117.83 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.045 -1.268 . . . . 0.0 108.334 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 175.58 36.41 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 120.714 -1.241 . . . . 0.0 110.194 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -58.1 -39.95 79.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.495 -1.003 . . . . 0.0 110.677 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.62 -43.47 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.24 -35.76 81.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.632 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.97 96.24 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.51 -38.97 91.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.185 -1.185 . . . . 0.0 110.773 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.08 -47.91 69.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.712 -1.242 . . . . 0.0 109.759 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.9 mt -60.99 -38.47 86.11 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -41.6 92.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.621 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.69 -18.97 65.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 108.794 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.01 57.29 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.096 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.25 45.34 Favored Glycine 0 N--CA 1.505 3.249 0 O-C-N 121.032 -1.043 . . . . 0.0 111.927 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -104.21 75.59 1.27 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.934 -1.333 . . . . 0.0 108.96 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -82.75 -11.4 58.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.305 -0.872 . . . . 0.0 110.661 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -130.22 152.02 50.1 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.95 95.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.704 -0.622 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -59.47 -19.35 47.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.792 -1.193 . . . . 0.0 111.118 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -79.18 -33.51 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.507 -1.371 . . . . 0.0 107.744 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.8 t -77.51 -37.43 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.645 HD22 ' CE ' ' B' ' 15' ' ' MET . 22.3 tp -60.03 -38.59 83.18 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.17 -40.17 95.4 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.02 -42.99 95.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -1.187 . . . . 0.0 108.426 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.91 -39.26 79.76 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.11 -27.78 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.321 -0.862 . . . . 0.0 110.388 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.59 12.99 11.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.092 -1.005 . . . . 0.0 110.324 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.13 39.71 8.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.765 -1.209 . . . . 0.0 109.802 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 59.97 20.91 9.96 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.799 -0.563 . . . . 0.0 110.663 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.57 108.42 4.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.501 -1.374 . . . . 0.0 108.999 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.73 -39.97 95.61 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.3 -39.15 78.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.575 -1.328 . . . . 0.0 110.957 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.53 -37.63 77.2 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.063 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.4 -45.97 88.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.02 -48.98 79.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 111.121 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.792 -1.193 . . . . 0.0 108.882 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.14 -48.18 77.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 111.349 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.42 -44.62 82.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.264 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.07 -48.8 80.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.139 -0.976 . . . . 0.0 109.721 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -69.35 -29.42 67.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 64.3 m -76.44 -38.72 55.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 111.551 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.1 p -130.23 -29.65 2.02 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.505 -1.372 . . . . 0.0 112.293 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.84 14.17 27.69 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.96 155.48 1.2 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -1.167 . . . . 0.0 109.22 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 33.8 t30 -87.73 169.08 12.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.993 -1.067 . . . . 0.0 110.539 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.752 -0.593 . . . . 0.0 110.574 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.39 -41.27 69.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.845 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.38 -35.18 79.69 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.362 -0.836 . . . . 0.0 110.342 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -68.42 -38.61 81.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 110.369 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -60.35 -37.64 81.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.829 -1.17 . . . . 0.0 109.612 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.51 -38.63 81.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.565 -1.334 . . . . 0.0 110.828 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -66.25 -39.99 89.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.862 -1.149 . . . . 0.0 110.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -58.39 -58.81 6.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.655 -1.278 . . . . 0.0 109.907 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -33.3 84.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.89 -50.69 54.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.348 . . . . 0.0 109.909 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.05 -39.72 75.52 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.378 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -63.15 -39.99 96.25 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 110.72 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.15 -39.35 78.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.989 -1.069 . . . . 0.0 110.603 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.1 t90 -60.47 -44.12 96.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.58 -1.325 . . . . 0.0 108.673 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 m -60.02 -40.63 89.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.3 -31.71 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -0.842 . . . . 0.0 110.102 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -36.69 18.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.127 -0.983 . . . . 0.0 110.371 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -107.12 -87.82 0.47 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 110.358 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.086 -1.009 . . . . 0.0 109.102 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.048 0.452 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' A' ' 11' ' ' VAL . 71.6 t60 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.22 -0.925 . . . . 0.0 110.869 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.66 -32.72 71.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.59 -39.83 73.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.364 -0.835 . . . . 0.0 111.067 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.0 -40.69 75.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.934 -1.104 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.3 m -83.62 11.72 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.056 -1.027 . . . . 0.0 110.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.27 -5.17 10.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.321 -0.862 . . . . 0.0 110.512 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.72 151.62 23.93 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 120.983 -1.073 . . . . 0.0 109.307 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -42.51 159.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 121.915 1.743 . . . . 0.0 111.824 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.8 ptp -92.67 -22.0 19.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.95 -138.05 39.21 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -106.86 31.37 5.36 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.575 -0.956 . . . . 0.0 110.201 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.0 148.66 76.72 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.036 -1.04 . . . . 0.0 108.936 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.39 77.36 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.324 2.016 . . . . 0.0 112.442 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.0 p -52.7 -39.36 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 110.645 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.09 -3.21 5.99 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 m -81.76 -24.47 36.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.804 -1.409 . . . . 0.0 109.253 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.03 139.97 58.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.271 -0.893 . . . . 0.0 109.733 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 137.44 58.05 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.643 0.735 . . . . 0.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -21.01 47.75 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.44 120.13 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.1 -1.235 . . . . 0.0 108.603 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -91.51 176.13 39.67 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.58 -39.94 85.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.545 -0.974 . . . . 0.0 110.459 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.67 -44.65 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.873 -1.142 . . . . 0.0 109.425 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 27' ' ' GLY . 68.8 mt -67.13 -36.77 82.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -36.98 91.97 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 36' ' ' GLU . 62.7 tttm -64.01 -40.01 95.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.558 -0.966 . . . . 0.0 110.146 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.01 -48.32 71.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.899 -1.126 . . . . 0.0 109.966 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.05 -38.5 86.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.015 . . . . 0.0 108.714 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.93 -40.05 87.6 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.625 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 98.9 mt-10 -68.8 -19.12 64.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 108.857 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.49 0.6 56.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.606 -0.684 . . . . 0.0 110.363 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.95 3.96 42.11 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 121.059 -1.026 . . . . 0.0 111.891 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.45 76.47 1.31 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.893 -1.357 . . . . 0.0 109.035 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 37.7 p-10 -80.99 -10.09 59.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.861 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.98 158.79 43.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.897 -1.127 . . . . 0.0 110.719 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.58 92.24 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -59.93 -19.74 53.57 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.43 -1.419 . . . . 0.0 111.195 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.08 -34.83 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.51 -1.369 . . . . 0.0 107.541 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.86 -36.43 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.1 tp -60.09 -38.23 82.32 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.33 -41.93 95.32 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.05 -41.69 92.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.007 -1.29 . . . . 0.0 108.943 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.46 -40.19 90.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 108.883 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.21 -38.59 82.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.21 -29.94 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.28 12.36 8.28 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.051 -1.031 . . . . 0.0 110.266 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 48.22 38.46 10.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.8 -1.188 . . . . 0.0 110.039 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 59.98 20.06 9.13 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.52 -0.738 . . . . 0.0 110.78 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -68.85 106.95 2.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.407 -1.433 . . . . 0.0 108.66 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.86 -40.02 94.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.875 . . . . 0.0 112.122 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -67.8 -39.95 83.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.84 -1.162 . . . . 0.0 109.944 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.04 -37.83 75.68 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.283 -0.967 . . . . 0.0 109.142 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.83 -41.71 91.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.819 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.456 HH22 ' CG ' ' A' ' 75' ' ' ARG . 50.6 mtt-85 -59.88 -49.79 76.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.927 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.0 -38.69 91.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.74 -1.225 . . . . 0.0 109.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.5 t90 -62.56 -47.78 82.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.835 . . . . 0.0 110.646 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.01 -48.6 62.61 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.162 -0.961 . . . . 0.0 110.4 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.17 -48.02 83.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.06 -1.025 . . . . 0.0 109.524 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 31.6 t0 -67.6 -32.18 72.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.5 m -79.07 -34.95 43.21 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.355 -0.841 . . . . 0.0 111.242 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.4 p -133.05 -39.74 0.94 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.528 -1.357 . . . . 0.0 112.182 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.493 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 113.54 16.79 7.93 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.2 152.18 3.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.993 -1.298 . . . . 0.0 109.782 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.0 172.49 8.41 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.165 -0.96 . . . . 0.0 109.822 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.18 71.59 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.349 -0.844 . . . . 0.0 110.988 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -70.2 -40.07 74.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.71 -1.243 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -66.26 -39.72 89.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 110.352 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 m -63.78 -39.95 95.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.365 -0.835 . . . . 0.0 110.603 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' CG ' HH22 ' A' ' 60' ' ' ARG . 95.6 mtt180 -61.19 -38.57 87.0 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.673 -1.267 . . . . 0.0 109.279 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.96 -39.9 75.74 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.849 -1.157 . . . . 0.0 110.501 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.74 -39.98 80.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.917 -1.114 . . . . 0.0 109.356 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -59.87 4.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.976 -1.077 . . . . 0.0 110.052 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.86 -32.96 83.77 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -67.29 -49.98 62.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.949 -1.324 . . . . 0.0 109.38 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.56 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -63.76 -40.01 95.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.044 -1.035 . . . . 0.0 110.374 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -69.79 -38.57 76.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 110.099 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.1 t90 -61.62 -44.57 96.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.732 -1.23 . . . . 0.0 108.728 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.2 -39.95 88.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 0.0 109.169 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.53 -31.71 69.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.396 -0.815 . . . . 0.0 110.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.25 18.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 110.695 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 98.4 m-85 . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.209 -0.932 . . . . 0.0 110.298 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.425 ' O ' HG22 ' B' ' 11' ' ' VAL . 71.9 t60 -59.91 -49.98 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.122 -0.986 . . . . 0.0 110.802 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.72 -32.73 71.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.942 -1.099 . . . . 0.0 109.522 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.64 -39.91 73.38 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.472 -0.768 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -69.92 -40.78 75.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.824 -1.173 . . . . 0.0 110.816 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 7' ' ' HIS . 17.1 m -83.69 12.03 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.063 -1.023 . . . . 0.0 110.808 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.55 -5.23 10.28 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.336 -0.853 . . . . 0.0 110.411 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.71 151.41 23.48 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 120.937 -1.102 . . . . 0.0 109.352 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -42.33 159.97 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.834 1.689 . . . . 0.0 111.829 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.651 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -92.74 -21.62 19.84 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.202 -0.936 . . . . 0.0 109.951 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.4 -138.07 37.12 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -106.74 31.53 5.21 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.584 -0.951 . . . . 0.0 110.194 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.04 148.69 76.93 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.918 -1.114 . . . . 0.0 108.994 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.35 77.6 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.401 2.067 . . . . 0.0 112.422 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.8 p -52.76 -39.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.749 -0.594 . . . . 0.0 110.679 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.404 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.25 -2.97 5.94 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -82.08 -24.42 35.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.82 -1.4 . . . . 0.0 109.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.01 139.85 58.81 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.951 0.882 . . . . 0.0 109.743 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 137.41 58.07 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.663 0.744 . . . . 0.0 110.518 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.18 -20.97 47.92 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.37 120.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.034 -1.274 . . . . 0.0 108.519 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.408 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.89 175.99 38.94 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -59.5 -39.99 85.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.987 . . . . 0.0 110.401 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -44.79 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.408 HD12 ' H ' ' B' ' 27' ' ' GLY . 70.1 mt -67.03 -36.85 83.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.07 92.02 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' B' ' 36' ' ' GLU . 62.7 tttm -64.04 -40.01 95.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.962 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.89 -48.34 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.903 -1.123 . . . . 0.0 109.93 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.92 -38.47 85.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.039 -1.038 . . . . 0.0 108.729 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.05 -40.2 88.6 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 98.8 mt-10 -68.49 -19.26 64.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.221 -0.924 . . . . 0.0 108.896 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -89.6 1.17 56.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.381 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.55 3.87 43.43 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.998 -1.064 . . . . 0.0 111.895 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.77 76.76 1.29 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.978 -1.307 . . . . 0.0 109.068 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -81.29 -10.1 59.64 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.808 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.92 158.93 43.32 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.908 -1.12 . . . . 0.0 110.62 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.3 -19.95 57.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.423 -1.423 . . . . 0.0 111.099 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -77.98 -34.67 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.542 -1.349 . . . . 0.0 107.565 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.93 -36.4 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.7 tp -60.07 -38.21 82.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.38 -42.01 95.45 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.02 -41.68 92.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.941 -1.329 . . . . 0.0 108.848 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -60.37 -40.16 89.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.423 -0.798 . . . . 0.0 108.87 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.31 -38.9 82.07 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.0 -29.66 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.381 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.63 12.72 8.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.046 -1.034 . . . . 0.0 110.245 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 69.0 mttm 47.94 38.35 9.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.691 -1.256 . . . . 0.0 110.206 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 60.01 19.95 9.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.556 -0.715 . . . . 0.0 110.755 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.67 106.92 2.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.402 -1.436 . . . . 0.0 108.615 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -40.13 94.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.946 . . . . 0.0 112.12 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.57 -40.02 84.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.879 -1.138 . . . . 0.0 110.041 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.158 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.76 -41.71 91.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.513 -0.742 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.452 HH22 ' CG ' ' B' ' 75' ' ' ARG . 49.5 mtt-85 -59.99 -49.95 75.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.276 -0.89 . . . . 0.0 110.931 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.82 -38.36 90.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.891 -1.131 . . . . 0.0 109.164 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.98 -47.56 82.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.366 -0.834 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.94 -48.73 62.52 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.07 -48.12 83.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.043 -1.036 . . . . 0.0 109.511 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 36.5 t0 -67.47 -31.93 72.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.606 -0.684 . . . . 0.0 109.38 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.7 m -79.34 -34.77 41.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.825 . . . . 0.0 111.3 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.4 p -133.14 -39.87 0.93 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.57 -1.331 . . . . 0.0 112.083 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 113.45 17.08 7.79 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.28 152.18 3.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.993 -1.298 . . . . 0.0 109.775 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.88 172.77 8.24 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.105 -0.997 . . . . 0.0 109.735 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.2 71.71 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.4 -0.812 . . . . 0.0 110.998 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -70.35 -40.08 74.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.776 -1.202 . . . . 0.0 109.856 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.19 -39.73 89.91 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.426 -0.796 . . . . 0.0 110.325 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' SER . . . . . 0.403 ' HB2' HH12 ' B' ' 60' ' ' ARG . 56.7 m -63.76 -40.02 95.69 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.189 -0.944 . . . . 0.0 110.579 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.452 ' CG ' HH22 ' B' ' 60' ' ' ARG . 95.8 mtt180 -61.36 -38.31 86.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.61 -1.307 . . . . 0.0 109.227 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.948 -1.095 . . . . 0.0 110.626 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -68.69 -40.12 80.19 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.88 -1.137 . . . . 0.0 109.406 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.1 -59.68 5.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.065 . . . . 0.0 110.03 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.83 83.62 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.54 -49.87 61.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.906 -1.349 . . . . 0.0 109.35 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -39.95 75.23 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.45 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.66 -40.05 95.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.105 -0.997 . . . . 0.0 110.482 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.85 -38.52 76.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.083 -1.011 . . . . 0.0 110.117 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -61.67 -44.71 96.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.621 -1.3 . . . . 0.0 108.655 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.08 -39.97 87.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.47 -31.47 69.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.496 -0.752 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -36.29 18.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.994 -1.066 . . . . 0.0 110.601 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.4 m-85 -105.55 -85.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.269 -0.895 . . . . 0.0 110.14 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.836 -1.165 . . . . 0.0 108.981 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 72.3 t60 -59.87 -50.23 74.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.061 -1.024 . . . . 0.0 110.596 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 99.2 mtt180 -70.23 -33.61 71.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.974 -1.079 . . . . 0.0 109.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.79 -39.97 72.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.345 -0.847 . . . . 0.0 110.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.94 -44.48 80.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.434 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 7' ' ' HIS . 14.0 m -84.95 13.71 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 110.367 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -110.73 -10.3 14.47 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.281 -0.887 . . . . 0.0 110.529 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -153.95 152.12 26.14 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 120.969 -1.082 . . . . 0.0 109.215 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -40.48 160.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.091 1.86 . . . . 0.0 112.039 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.589 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -88.69 -20.82 24.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.038 -1.039 . . . . 0.0 109.648 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.15 -140.01 13.13 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.52 29.89 6.16 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.438 -1.036 . . . . 0.0 110.435 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.69 149.84 77.82 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.944 -1.098 . . . . 0.0 108.686 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.66 156.96 61.12 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.555 2.17 . . . . 0.0 112.909 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.58 -40.79 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.618 -0.676 . . . . 0.0 110.607 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.85 -2.3 2.48 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -81.16 -21.66 39.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.857 -1.378 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.27 139.96 58.66 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.336 -0.852 . . . . 0.0 109.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 136.35 56.69 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.536 0.684 . . . . 0.0 109.837 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.29 -19.97 51.82 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -98.52 116.87 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -1.146 . . . . 0.0 108.174 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.01 177.08 38.08 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -58.03 -39.93 79.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.419 -1.048 . . . . 0.0 110.321 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -43.82 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.022 . . . . 0.0 109.419 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 73' ' ' GLN . 89.8 mt -67.64 -39.54 84.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -0.879 . . . . 0.0 109.659 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.06 -36.94 90.75 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.44 -39.74 92.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -1.056 . . . . 0.0 110.685 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.27 -47.01 71.94 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.741 -1.225 . . . . 0.0 110.142 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 mt -60.02 -39.72 86.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.9 -1.125 . . . . 0.0 108.292 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.15 -40.62 90.49 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.948 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.31 -19.6 64.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.065 -1.022 . . . . 0.0 108.767 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HG2' HH11 ' A' ' 37' ' ' ARG . 1.3 mmt-85 -89.95 1.26 56.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.513 -0.742 . . . . 0.0 110.684 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.98 40.54 Favored Glycine 0 N--CA 1.505 3.24 0 O-C-N 120.969 -1.082 . . . . 0.0 111.836 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -103.77 73.57 1.18 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.889 -1.359 . . . . 0.0 108.618 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.63 -12.5 57.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.665 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.17 151.16 51.0 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 109.697 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.02 94.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -59.98 -19.6 53.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.501 -1.374 . . . . 0.0 110.959 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.08 -32.18 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.636 -1.29 . . . . 0.0 107.638 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.25 -39.48 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.0 tp -59.94 -38.74 83.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.25 -43.61 74.95 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -60.08 -42.95 95.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.263 . . . . 0.0 109.529 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.63 -37.95 83.2 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.804 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.32 -26.78 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.097 -1.002 . . . . 0.0 110.932 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.69 12.44 10.7 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.98 -1.075 . . . . 0.0 111.232 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 47.95 38.77 9.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.643 -1.286 . . . . 0.0 110.01 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 60.09 20.16 9.39 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.566 -0.709 . . . . 0.0 110.553 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -67.4 106.72 2.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.58 -1.325 . . . . 0.0 108.288 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.3 -40.84 96.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.323 -0.86 . . . . 0.0 112.745 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.28 -39.12 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.434 -1.416 . . . . 0.0 109.528 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.88 -39.81 76.08 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.66 -48.78 73.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 109.773 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -59.98 -47.42 85.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.379 -0.826 . . . . 0.0 110.415 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.09 -37.5 87.69 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.18 -0.95 . . . . 0.0 109.44 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -63.72 -47.51 80.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.242 -0.911 . . . . 0.0 111.45 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.01 -46.74 67.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 0.0 110.704 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.38 -47.83 84.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.028 -1.045 . . . . 0.0 110.338 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.03 -26.54 64.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.734 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -80.48 -33.47 36.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.189 -0.944 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.6 p -132.3 -26.94 1.83 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.624 -1.298 . . . . 0.0 111.938 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.33 13.77 27.71 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.83 153.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.084 -1.245 . . . . 0.0 109.061 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.07 171.73 9.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 109.83 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.97 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.581 -0.699 . . . . 0.0 110.694 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -71.69 -40.1 69.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.857 -1.152 . . . . 0.0 109.736 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' A' ' 30' ' ' LEU . 96.8 mt-30 -65.45 -39.64 92.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.476 -0.765 . . . . 0.0 109.749 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 m -63.36 -39.98 96.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.499 -0.75 . . . . 0.0 110.576 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.22 -38.43 83.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.765 -1.209 . . . . 0.0 110.167 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.94 -39.79 83.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.59 -1.319 . . . . 0.0 110.808 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.3 -40.11 81.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.73 -1.231 . . . . 0.0 110.253 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.32 -60.33 4.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.628 -1.295 . . . . 0.0 110.459 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.65 -32.17 77.65 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.0 -1.294 . . . . 0.0 110.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.034 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -62.11 -40.04 94.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -0.888 . . . . 0.0 110.569 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.1 mt-10 -70.01 -38.33 75.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 111.218 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.1 t90 -61.47 -45.05 95.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.446 -1.409 . . . . 0.0 109.161 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.45 -40.11 93.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.0 110.225 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.61 -29.59 66.58 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.63 12.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.203 -0.936 . . . . 0.0 111.499 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 83.3 m-85 . . . . . 0 N--CA 1.506 2.356 0 O-C-N 121.157 -0.964 . . . . 0.0 113.366 -176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.074 0.464 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' B' ' 11' ' ' VAL . 72.2 t60 -60.02 -50.23 74.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 110.62 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 99.2 mtt180 -70.04 -33.51 72.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.91 -39.98 72.42 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.372 -0.83 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.99 -44.42 80.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.102 -0.999 . . . . 0.0 110.468 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 7' ' ' HIS . 14.2 m -85.14 14.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.976 -1.078 . . . . 0.0 110.301 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -110.95 -10.51 14.39 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.381 -0.824 . . . . 0.0 110.515 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -153.85 152.1 26.24 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.936 -1.102 . . . . 0.0 109.111 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.44 160.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.024 1.816 . . . . 0.0 112.101 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.557 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -88.83 -20.8 24.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.068 -1.02 . . . . 0.0 109.637 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.04 -140.0 12.54 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.47 30.07 5.99 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.463 -1.022 . . . . 0.0 110.454 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.85 149.8 79.22 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.869 -1.145 . . . . 0.0 108.664 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.67 156.86 61.71 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.503 2.135 . . . . 0.0 112.984 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -55.31 -40.99 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.638 -0.664 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -2.26 2.41 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 72.9 m -81.28 -21.42 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.807 -1.408 . . . . 0.0 108.96 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.56 139.85 58.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.274 -0.891 . . . . 0.0 109.744 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 136.29 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.649 0.738 . . . . 0.0 109.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.5 -20.01 51.39 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.4 117.13 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.195 -1.179 . . . . 0.0 108.187 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 177.2 38.08 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -58.09 -40.03 80.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -1.012 . . . . 0.0 110.265 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.25 -43.89 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.494 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.44 HD11 ' NE2' ' B' ' 73' ' ' GLN . 90.9 mt -67.62 -39.59 84.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.19 -36.91 90.78 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.34 -39.98 93.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -1.041 . . . . 0.0 110.649 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.91 -47.15 72.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.862 -1.149 . . . . 0.0 110.193 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.01 -39.76 86.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.953 -1.092 . . . . 0.0 108.298 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.06 -19.56 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.3 mmt-85 -90.03 1.38 56.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.452 -0.78 . . . . 0.0 110.593 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.29 5.06 40.62 Favored Glycine 0 N--CA 1.505 3.266 0 O-C-N 121.039 -1.038 . . . . 0.0 111.797 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.87 73.57 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.792 -1.416 . . . . 0.0 108.549 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.76 -12.68 57.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.788 . . . . 0.0 110.651 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.06 151.3 50.76 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.153 -0.967 . . . . 0.0 109.613 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.06 94.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.615 -0.678 . . . . 0.0 111.606 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -59.99 -19.66 53.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.583 -1.323 . . . . 0.0 110.949 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.89 -32.35 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.09 -39.56 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.557 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.3 tp -59.98 -38.63 83.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.35 -43.65 76.03 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.1 -42.84 95.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.075 -1.25 . . . . 0.0 109.491 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.0 -39.93 87.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.15 -0.969 . . . . 0.0 108.827 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.86 -37.82 82.31 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.5 t -67.34 -26.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.217 -0.927 . . . . 0.0 110.956 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.0 12.59 10.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.973 -1.079 . . . . 0.0 111.109 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 47.81 38.83 9.43 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.614 -1.304 . . . . 0.0 110.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 59.93 20.01 9.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.676 -0.64 . . . . 0.0 110.64 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -66.96 107.02 2.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.634 -1.291 . . . . 0.0 108.235 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.82 -40.73 95.68 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.31 -0.869 . . . . 0.0 112.699 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.18 -39.21 82.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.435 -1.415 . . . . 0.0 109.578 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.59 -48.85 73.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.086 -1.009 . . . . 0.0 109.729 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -59.99 -47.53 85.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 110.423 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.87 -47.42 80.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.409 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.6 tp -69.13 -46.56 67.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.015 -1.053 . . . . 0.0 110.72 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.46 -47.96 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.004 -1.06 . . . . 0.0 110.265 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.88 -26.8 64.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -80.37 -33.33 37.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 111.263 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -132.24 -27.4 1.8 Allowed 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.549 -1.344 . . . . 0.0 111.878 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.67 13.85 26.83 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.76 1.68 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.105 -1.233 . . . . 0.0 109.019 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.05 171.76 9.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.996 -1.065 . . . . 0.0 109.87 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.89 74.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.569 -0.707 . . . . 0.0 110.704 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.69 -40.14 69.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.916 -1.115 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' B' ' 30' ' ' LEU . 96.9 mt-30 -65.46 -39.72 92.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.451 -0.78 . . . . 0.0 109.795 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.4 m -63.17 -39.99 96.25 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.611 -0.68 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.46 -38.25 83.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 110.228 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -67.98 -39.76 83.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.485 -1.385 . . . . 0.0 110.87 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -40.04 81.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.775 -1.203 . . . . 0.0 110.209 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.35 -60.34 4.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.66 -1.275 . . . . 0.0 110.477 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.68 -32.03 77.31 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -70.47 -47.61 59.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.069 -1.253 . . . . 0.0 110.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.111 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -62.22 -40.1 95.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.401 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 94.9 mt-10 -69.97 -38.43 76.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.997 -1.064 . . . . 0.0 111.229 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.1 t90 -61.42 -45.05 95.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.515 -1.366 . . . . 0.0 109.197 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD11 ' B' ' 46' ' ' LEU . 68.0 m -61.56 -39.95 92.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.515 -0.741 . . . . 0.0 110.221 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -58.84 -29.42 66.91 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.079 -1.013 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.44 -34.81 11.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.216 -0.927 . . . . 0.0 111.464 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 83.5 m-85 -109.79 -11.0 14.75 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.231 -0.918 . . . . 0.0 113.374 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp . . . . . 0 N--CA 1.504 2.23 0 O-C-N 120.288 -1.507 . . . . 0.0 109.442 -179.627 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -58.25 -50.59 73.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 0.0 110.36 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -33.06 71.6 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 110.088 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.24 -39.47 75.01 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.0 t80 -67.93 -41.05 83.19 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.14 -0.975 . . . . 0.0 110.864 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.9 m -82.58 14.59 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.974 -1.078 . . . . 0.0 109.942 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.69 -6.89 9.65 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.486 -0.759 . . . . 0.0 110.692 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.25 151.92 32.43 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 120.834 -1.166 . . . . 0.0 109.755 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.33 156.58 0.53 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.824 1.683 . . . . 0.0 111.666 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.439 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -90.14 -24.52 21.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.048 -1.032 . . . . 0.0 109.618 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.23 -138.23 39.96 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.64 32.24 4.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.479 -1.012 . . . . 0.0 110.346 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 149.88 83.14 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.09 157.33 62.23 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.384 2.056 . . . . 0.0 112.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.3 p -55.49 -45.5 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.532 -0.73 . . . . 0.0 110.321 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.93 -3.79 1.34 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.5 t -81.53 -23.02 37.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.843 -1.387 . . . . 0.0 108.74 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.98 139.78 58.8 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.319 -0.863 . . . . 0.0 109.139 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 136.99 57.2 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.739 0.781 . . . . 0.0 110.14 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.45 53.26 Favored Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.93 119.87 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.168 -1.196 . . . . 0.0 108.51 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.03 176.13 37.21 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.747 -1.221 . . . . 0.0 110.055 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.06 -39.99 75.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.671 -0.9 . . . . 0.0 110.299 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.92 -42.79 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.638 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 27' ' ' GLY . 93.3 mt -67.37 -38.93 85.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.1 -39.96 96.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.95 -40.03 96.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.241 -1.152 . . . . 0.0 111.143 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.57 -43.41 76.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.533 -1.355 . . . . 0.0 109.781 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.24 -39.95 96.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 108.73 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -41.36 91.79 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.726 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.49 -21.55 66.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.94 . . . . 0.0 109.461 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH1' HG23 ' A' ' 66' ' ' THR . 46.9 mtp180 -90.9 4.48 51.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.27 -0.894 . . . . 0.0 111.021 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.86 45.03 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 120.931 -1.106 . . . . 0.0 111.984 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.84 72.32 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.857 -1.378 . . . . 0.0 107.697 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.05 -9.7 59.72 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.971 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.08 157.89 45.68 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.949 -1.094 . . . . 0.0 110.489 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.44 91.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.678 -0.639 . . . . 0.0 112.636 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -59.91 -18.41 44.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.381 -1.449 . . . . 0.0 111.011 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -77.2 -32.06 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.94 -37.02 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD22 ' CE ' ' A' ' 15' ' ' MET . 16.6 tp -60.0 -39.0 84.26 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.57 98.43 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.97 -41.84 92.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.411 . . . . 0.0 108.751 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.07 -40.9 91.1 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.11 -37.69 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.57 -27.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.456 -0.777 . . . . 0.0 110.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.72 13.91 13.11 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.109 -0.994 . . . . 0.0 110.218 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 47.25 40.48 10.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.826 -1.171 . . . . 0.0 110.313 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.95 20.82 9.85 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.54 -0.725 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.06 112.31 4.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.447 -1.408 . . . . 0.0 108.659 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 86.5 tt0 -66.27 -41.49 89.79 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.423 -0.798 . . . . 0.0 112.87 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.67 -39.53 76.96 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.84 -1.163 . . . . 0.0 110.394 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.57 -39.26 77.47 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.081 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.62 -47.53 81.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 0.0 109.611 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.6 mtt180 -60.12 -47.38 86.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.925 . . . . 0.0 110.879 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.75 -38.98 93.13 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.72 -1.238 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.6 t90 -64.42 -48.08 76.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 111.171 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.93 -46.25 75.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.911 -1.118 . . . . 0.0 110.642 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.18 -46.79 89.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.078 -1.014 . . . . 0.0 110.096 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.75 -27.79 65.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.594 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.458 HG23 ' NH1' ' A' ' 37' ' ' ARG . 96.6 m -75.97 -37.39 58.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.285 -0.884 . . . . 0.0 110.736 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.0 p -131.43 -28.56 1.86 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.607 -1.308 . . . . 0.0 112.249 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.0 16.75 12.87 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 151.79 2.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -1.086 . . . . 0.0 110.151 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -91.19 170.11 10.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.324 -0.86 . . . . 0.0 109.704 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.38 73.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.0 110.701 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -70.92 -43.41 68.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.799 -1.188 . . . . 0.0 110.599 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.32 -31.71 72.18 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -68.69 -37.63 79.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.056 -1.028 . . . . 0.0 109.814 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.63 -39.1 87.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.017 -1.052 . . . . 0.0 110.192 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.44 -39.92 85.41 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.564 -1.335 . . . . 0.0 110.755 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.98 75.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.761 -1.212 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.4 -60.06 4.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.653 -1.279 . . . . 0.0 110.11 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.41 -33.32 84.23 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.32 -46.56 73.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.747 -1.443 . . . . 0.0 109.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.03 -39.11 75.95 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.735 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -59.99 -43.42 95.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.277 -0.889 . . . . 0.0 110.475 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' O ' ' A' ' 79' ' ' GLY . 1.1 mp0 -70.61 -37.39 73.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.107 -0.996 . . . . 0.0 110.902 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.561 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.3 t90 -60.07 -44.75 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.424 -1.422 . . . . 0.0 108.356 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -39.98 93.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.547 -0.721 . . . . 0.0 109.367 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.98 -33.89 72.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.486 -0.759 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.25 -39.07 18.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.13 -0.981 . . . . 0.0 110.626 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 . . . . . 0 N--CA 1.499 2.019 0 O-C-N 121.165 -0.96 . . . . 0.0 110.643 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -58.25 -50.61 72.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.133 -0.979 . . . . 0.0 110.405 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -32.98 71.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.031 -1.043 . . . . 0.0 110.152 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.33 -39.44 74.74 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.323 -0.86 . . . . 0.0 110.367 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.0 t80 -67.9 -41.01 83.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.173 -0.955 . . . . 0.0 110.886 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -82.72 14.77 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.854 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.78 -7.0 9.61 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.518 -0.739 . . . . 0.0 110.619 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.16 151.91 32.63 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.75 -1.219 . . . . 0.0 109.815 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.35 156.67 0.53 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.856 1.704 . . . . 0.0 111.675 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.445 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -90.17 -24.53 21.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.027 -1.046 . . . . 0.0 109.563 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.05 -138.23 39.29 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.53 32.26 4.19 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.54 -0.976 . . . . 0.0 110.328 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.62 149.91 82.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.988 -1.07 . . . . 0.0 109.168 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.09 157.42 61.79 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.336 2.024 . . . . 0.0 112.666 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.498 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.47 -45.55 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.553 -0.717 . . . . 0.0 110.32 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.498 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.87 -3.78 1.32 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.5 t -81.67 -22.86 37.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.828 -1.395 . . . . 0.0 108.721 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.21 139.74 58.8 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 136.97 57.23 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.667 0.746 . . . . 0.0 110.174 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.75 -19.32 53.89 Favored Glycine 0 N--CA 1.498 2.784 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.97 119.89 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.152 -1.205 . . . . 0.0 108.548 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.424 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.03 176.15 37.23 Favored Glycine 0 N--CA 1.492 2.406 0 O-C-N 120.739 -1.226 . . . . 0.0 110.061 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.03 -39.96 75.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.61 -0.935 . . . . 0.0 110.422 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.88 -42.95 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.924 -1.11 . . . . 0.0 109.64 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.424 HD12 ' H ' ' B' ' 27' ' ' GLY . 93.3 mt -67.12 -39.06 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.361 -0.837 . . . . 0.0 109.683 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.93 96.5 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.04 -40.01 96.45 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.276 -1.132 . . . . 0.0 111.138 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.43 -43.47 77.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.426 -1.421 . . . . 0.0 109.847 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.23 -39.97 96.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 108.752 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.98 -41.23 91.54 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.58 -21.61 66.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.275 -0.891 . . . . 0.0 109.454 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.464 ' NH1' HG23 ' B' ' 66' ' ' THR . 46.9 mtp180 -90.81 4.57 51.36 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.298 -0.876 . . . . 0.0 111.142 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.94 45.16 Favored Glycine 0 N--CA 1.503 3.121 0 O-C-N 120.926 -1.109 . . . . 0.0 111.951 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.97 72.36 1.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.744 -1.445 . . . . 0.0 107.684 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.17 -9.49 59.72 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.938 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.22 157.85 45.74 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.026 -1.046 . . . . 0.0 110.555 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.39 91.62 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -60.03 -18.32 45.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.46 -1.4 . . . . 0.0 111.001 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.16 -32.03 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.99 -36.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' B' ' 15' ' ' MET . 16.6 tp -60.04 -39.12 84.84 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.67 98.31 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.95 -41.84 92.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.988 -1.301 . . . . 0.0 108.655 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.08 -40.83 90.92 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.18 -37.75 81.3 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.46 -27.36 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.438 -0.789 . . . . 0.0 110.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.87 14.13 12.82 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.092 -1.005 . . . . 0.0 110.284 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 47.15 40.46 10.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.822 -1.174 . . . . 0.0 110.361 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 60.11 20.51 9.75 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.567 -0.708 . . . . 0.0 110.612 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -67.84 112.3 4.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.551 -1.343 . . . . 0.0 108.606 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 86.5 tt0 -66.35 -41.53 89.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.524 -0.735 . . . . 0.0 112.822 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.63 -39.43 77.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.816 -1.178 . . . . 0.0 110.374 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.73 -39.17 76.97 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.07 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.68 -47.54 80.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.653 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.6 mtt180 -59.94 -47.72 84.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.876 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.47 -38.97 93.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.686 -1.259 . . . . 0.0 109.48 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.435 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.98 -46.3 75.03 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.925 -1.109 . . . . 0.0 110.663 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.12 -46.86 88.85 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.112 -0.992 . . . . 0.0 110.131 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -69.52 -28.01 65.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 109.675 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.464 HG23 ' NH1' ' B' ' 37' ' ' ARG . 96.6 m -75.93 -37.4 58.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.338 -0.851 . . . . 0.0 110.772 -178.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.29 -28.73 1.87 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.606 -1.309 . . . . 0.0 112.355 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.8 12.63 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.85 3.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -1.138 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.17 170.07 10.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.25 -0.906 . . . . 0.0 109.657 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.18 72.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.487 -0.758 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -71.12 -43.27 67.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 0.0 110.585 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.4 -31.75 72.18 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.17 -0.956 . . . . 0.0 110.341 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.6 p -68.68 -37.62 79.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.062 -1.024 . . . . 0.0 109.811 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.69 -38.92 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 110.289 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.6 -40.01 84.75 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.656 -1.277 . . . . 0.0 110.684 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -70.0 -39.94 75.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.873 -1.142 . . . . 0.0 110.519 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -60.38 -60.02 4.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.661 -1.274 . . . . 0.0 110.206 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.447 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.56 -33.07 83.57 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -67.5 -46.6 72.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.788 -1.419 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.03 -39.15 75.94 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.753 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -60.0 -43.12 95.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.158 -0.964 . . . . 0.0 110.494 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 79' ' ' GLY . 0.9 OUTLIER -71.06 -37.2 72.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 110.654 -179.21 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.559 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 72.1 t90 -60.13 -44.72 94.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.366 -1.459 . . . . 0.0 108.314 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -40.01 93.62 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.609 -0.682 . . . . 0.0 109.288 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -33.76 72.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.779 . . . . 0.0 109.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.35 -39.15 17.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.16 -0.962 . . . . 0.0 110.552 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.7 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.136 -0.977 . . . . 0.0 110.606 -178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 109.312 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.533 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.4 t60 -59.27 -50.3 74.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 110.422 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 8' ' ' ARG . 52.9 mtm-85 -70.08 -31.09 68.5 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.199 -0.938 . . . . 0.0 109.781 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.92 -39.51 63.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -66.32 -39.99 89.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.028 -1.045 . . . . 0.0 109.978 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.08 18.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.021 -1.049 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -7.21 9.95 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.58 -0.7 . . . . 0.0 110.451 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.63 153.32 31.84 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.196 . . . . 0.0 109.894 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.25 158.91 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.85 1.7 . . . . 0.0 111.722 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.608 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.9 ptp -88.47 -20.44 25.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.916 -1.115 . . . . 0.0 109.066 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.58 13.72 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.88 29.52 6.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.594 -0.945 . . . . 0.0 110.162 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -60.93 149.48 80.94 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.929 -1.107 . . . . 0.0 108.717 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -67.38 158.68 55.87 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.491 2.127 . . . . 0.0 112.779 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.2 p -55.67 -42.64 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.681 -0.637 . . . . 0.0 111.075 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.38 -2.65 3.26 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 t -82.67 -23.74 34.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.847 -1.384 . . . . 0.0 109.344 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.45 138.87 58.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.357 -0.84 . . . . 0.0 109.38 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 135.89 56.11 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.663 0.744 . . . . 0.0 109.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -19.56 48.12 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mm -99.5 120.82 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.227 -1.16 . . . . 0.0 108.37 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.79 175.34 35.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -40.01 82.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.157 . . . . 0.0 110.201 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -46.89 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.97 -1.081 . . . . 0.0 109.586 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.1 -37.97 84.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.02 95.09 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.98 -39.42 93.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.18 . . . . 0.0 110.6 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.72 -45.43 82.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.724 -1.235 . . . . 0.0 109.671 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.43 -37.35 85.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.899 -1.126 . . . . 0.0 108.866 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -40.48 89.14 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.912 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -19.19 64.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 108.925 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -90.13 1.25 56.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.521 -0.737 . . . . 0.0 110.602 -178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.51 45.73 Favored Glycine 0 N--CA 1.504 3.215 0 O-C-N 120.926 -1.109 . . . . 0.0 112.148 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.4 74.08 1.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.82 -1.4 . . . . 0.0 107.928 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -82.61 -10.73 58.83 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.932 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -135.78 156.4 48.87 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.074 -1.016 . . . . 0.0 110.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.22 95.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.705 -0.622 . . . . 0.0 112.677 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.21 -19.96 62.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.452 -1.405 . . . . 0.0 111.259 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.35 -31.91 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.15 -38.28 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.99 -40.0 87.69 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.36 84.14 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.2 -43.1 96.19 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.958 -1.319 . . . . 0.0 109.236 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.03 -39.96 87.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.382 -0.824 . . . . 0.0 108.891 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.7 -37.42 82.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.643 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.59 -28.23 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.55 13.13 12.73 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.084 -1.01 . . . . 0.0 110.451 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.23 40.45 10.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.654 -1.279 . . . . 0.0 110.533 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.4 20.01 9.64 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.568 -0.708 . . . . 0.0 111.039 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.02 107.85 3.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.492 -1.38 . . . . 0.0 108.305 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.71 -40.03 95.78 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.23 -39.99 78.21 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.523 -1.361 . . . . 0.0 110.342 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.89 -38.89 76.47 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.94 -48.93 74.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.97 -46.77 88.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 110.797 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.19 -37.12 85.98 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.815 -1.178 . . . . 0.0 108.973 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -64.44 -46.32 83.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.927 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 tp -69.33 -47.53 64.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.855 -1.153 . . . . 0.0 110.688 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.95 -49.49 77.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.313 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -69.76 -25.7 63.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.375 -0.828 . . . . 0.0 109.711 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 m -80.59 -34.64 35.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 0.0 111.424 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.3 p -132.99 -29.64 1.44 Allowed 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.464 -1.398 . . . . 0.0 112.004 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.5 14.42 18.05 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.09 153.45 3.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.903 -1.351 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.22 172.98 8.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.165 -0.959 . . . . 0.0 109.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.73 72.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.494 -0.754 . . . . 0.0 111.641 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -71.31 -42.93 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.43 -1.419 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -66.84 -35.48 80.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.076 -1.015 . . . . 0.0 110.576 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 t -67.17 -38.6 85.71 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.971 -1.081 . . . . 0.0 110.246 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.97 -37.29 79.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.81 -1.181 . . . . 0.0 109.853 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.73 -37.61 76.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.617 -1.302 . . . . 0.0 110.735 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.95 -41.23 78.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.654 -1.279 . . . . 0.0 109.702 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.72 -59.57 5.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.694 -1.254 . . . . 0.0 109.843 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.27 77.98 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.16 -49.98 62.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.07 -1.253 . . . . 0.0 109.6 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.562 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.04 -42.98 95.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 109.984 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 92.5 mt-10 -69.99 -37.55 75.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -60.02 -42.97 95.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.447 -1.408 . . . . 0.0 107.547 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.66 -40.09 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.747 . . . . 0.0 109.258 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.27 -35.09 74.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 0.0 110.239 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -36.78 18.45 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.113 -0.992 . . . . 0.0 110.372 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.2 m-85 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.354 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.53 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.7 t60 -59.21 -50.54 73.63 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 110.417 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' B' ' 8' ' ' ARG . 53.0 mtm-85 -69.96 -31.16 68.75 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.304 -0.872 . . . . 0.0 109.827 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.9 -39.41 63.9 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.401 -0.812 . . . . 0.0 110.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.43 -40.0 89.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.83 18.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.976 -1.077 . . . . 0.0 109.383 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.85 -7.05 10.04 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.482 -0.761 . . . . 0.0 110.467 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.78 153.4 31.7 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.799 -1.188 . . . . 0.0 109.865 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.32 158.88 0.19 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.896 1.731 . . . . 0.0 111.718 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.615 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.8 ptp -88.4 -20.6 25.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.977 -1.077 . . . . 0.0 109.06 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -140.4 15.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -105.14 29.53 6.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.986 . . . . 0.0 110.14 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -60.96 149.27 81.87 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 120.999 -1.063 . . . . 0.0 108.827 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.3 158.59 56.28 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.502 2.135 . . . . 0.0 112.831 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.421 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.3 p -55.45 -42.91 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.688 -0.632 . . . . 0.0 111.06 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.421 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -61.08 -2.92 3.08 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.066 -1.021 . . . . 0.0 110.614 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -82.46 -23.67 34.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.751 -1.44 . . . . 0.0 109.411 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.45 138.79 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.458 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 136.19 56.46 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.645 0.736 . . . . 0.0 109.873 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.99 -19.47 49.21 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -99.66 120.83 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.179 -1.189 . . . . 0.0 108.381 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.68 175.38 35.58 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.62 -40.07 82.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.259 -1.142 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.58 -46.76 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.929 -1.107 . . . . 0.0 109.615 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -37.83 83.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.467 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.1 95.14 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.9 -39.3 93.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.338 -1.095 . . . . 0.0 110.621 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.84 -45.47 82.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.641 -1.287 . . . . 0.0 109.591 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.47 -37.31 85.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.946 -1.096 . . . . 0.0 108.86 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.02 -40.57 89.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 0.0 109.948 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.36 -19.02 64.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.23 -0.918 . . . . 0.0 108.971 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -90.22 1.15 56.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 110.598 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.49 45.38 Favored Glycine 0 N--CA 1.504 3.208 0 O-C-N 120.942 -1.099 . . . . 0.0 112.076 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.29 73.98 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.837 -1.39 . . . . 0.0 107.911 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -82.48 -11.03 58.76 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.914 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -135.52 156.35 49.03 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.032 -1.042 . . . . 0.0 110.057 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.26 95.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.669 -0.645 . . . . 0.0 112.644 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.14 -19.95 62.11 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.429 -1.419 . . . . 0.0 111.349 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -77.26 -32.16 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.96 -38.35 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.2 tp -59.98 -39.93 87.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.41 -44.02 85.04 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.58 -42.99 97.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.915 -1.344 . . . . 0.0 109.254 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.94 -39.99 87.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.473 -0.767 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.73 -37.23 81.91 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.476 -0.89 . . . . 0.0 108.643 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.81 -28.33 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.047 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.49 13.07 12.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.058 -1.026 . . . . 0.0 110.384 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.24 40.56 10.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.698 -1.251 . . . . 0.0 110.513 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.47 20.03 9.75 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.506 -0.746 . . . . 0.0 111.06 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -70.17 107.58 3.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.453 -1.404 . . . . 0.0 108.438 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.56 -39.99 95.83 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.25 -40.04 78.11 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.468 -1.395 . . . . 0.0 110.436 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.8 -39.09 76.77 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.002 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.8 -48.93 74.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 109.524 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.01 -46.48 89.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.844 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.47 -37.06 85.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.736 -1.228 . . . . 0.0 108.977 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.46 -46.38 83.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.29 -47.57 64.19 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.853 -1.155 . . . . 0.0 110.627 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.98 -49.55 77.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.032 -1.043 . . . . 0.0 110.224 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -69.67 -25.82 64.08 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.373 -0.829 . . . . 0.0 109.708 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.9 m -80.5 -34.71 35.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 111.501 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 p -132.97 -29.6 1.44 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.439 -1.413 . . . . 0.0 111.924 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.54 14.17 18.64 Favored Glycine 0 N--CA 1.501 3.006 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.99 153.37 3.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.913 -1.346 . . . . 0.0 109.815 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.11 172.96 8.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.19 -0.944 . . . . 0.0 109.821 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.84 73.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.545 -0.722 . . . . 0.0 111.652 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -71.34 -42.89 67.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.411 -1.431 . . . . 0.0 110.675 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -66.88 -35.34 79.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.959 -1.088 . . . . 0.0 110.592 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -67.2 -38.65 85.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.965 -1.084 . . . . 0.0 110.296 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.0 -37.45 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.765 -1.21 . . . . 0.0 109.744 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.52 -37.61 77.19 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.91 -41.29 78.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.673 -1.267 . . . . 0.0 109.732 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.64 -59.59 5.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.765 -1.209 . . . . 0.0 109.779 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -33.07 77.94 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.25 -49.99 62.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.099 -1.236 . . . . 0.0 109.493 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.11 -39.98 75.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 118.979 -1.089 . . . . 0.0 109.639 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -42.95 95.46 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 110.04 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.2 mt-10 -70.03 -37.55 75.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 110.777 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.3 t90 -60.03 -42.93 95.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.575 -1.328 . . . . 0.0 107.657 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.6 -40.08 93.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.588 -0.695 . . . . 0.0 109.284 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.29 -35.18 74.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.489 -0.757 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.67 -36.72 18.57 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.216 -0.928 . . . . 0.0 110.338 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.3 m-85 -105.92 -86.69 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.213 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.786 0.326 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.467 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 45.9 t60 -59.83 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 110.147 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 8' ' ' ARG . 51.8 mtt-85 -69.99 -34.26 73.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.913 . . . . 0.0 110.278 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.1 -37.28 75.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.314 -0.866 . . . . 0.0 109.653 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -62.89 -46.56 87.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.502 -0.749 . . . . 0.0 109.832 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 m -81.58 14.99 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.316 -0.865 . . . . 0.0 110.502 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.95 -9.45 14.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.304 -0.872 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.41 153.81 29.74 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.93 -1.106 . . . . 0.0 109.75 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.69 160.62 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.875 1.716 . . . . 0.0 111.622 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.46 -25.03 20.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 109.767 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.64 -136.84 31.89 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.58 29.91 6.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.448 -1.031 . . . . 0.0 110.648 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -60.49 148.54 80.41 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 120.747 -1.221 . . . . 0.0 108.269 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.34 155.89 67.8 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.12 1.88 . . . . 0.0 112.538 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -53.81 -46.99 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.621 -0.674 . . . . 0.0 110.834 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.69 -4.07 0.35 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' VAL . 33.8 t -81.14 -19.98 42.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.725 -1.456 . . . . 0.0 109.183 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.29 138.78 58.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.782 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.22 57.19 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.719 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -20.0 52.18 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mm -98.84 114.09 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.154 -1.204 . . . . 0.0 108.032 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.7 179.54 38.62 Favored Glycine 0 N--CA 1.495 2.6 0 O-C-N 120.594 -1.317 . . . . 0.0 110.205 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.513 -0.992 . . . . 0.0 110.169 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.22 -48.21 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.872 -1.143 . . . . 0.0 109.515 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.39 -37.41 85.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 109.226 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.46 -39.2 94.59 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.96 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -1.071 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -65.84 -47.53 74.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.918 -1.114 . . . . 0.0 109.487 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.39 -39.99 96.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 0.0 109.26 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.07 -41.05 91.58 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.539 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.35 -19.43 65.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.367 -0.833 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -90.26 0.47 57.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 111.073 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.31 4.71 40.74 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.979 -1.075 . . . . 0.0 111.717 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -104.99 73.73 1.07 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.818 -1.401 . . . . 0.0 108.251 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.05 -10.13 59.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.426 -0.796 . . . . 0.0 111.259 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -136.84 157.49 46.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.886 -1.134 . . . . 0.0 110.23 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.53 92.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -59.02 -19.24 41.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.415 -1.428 . . . . 0.0 111.2 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -77.86 -34.26 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.367 . . . . 0.0 107.572 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.93 -34.49 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.06 -42.0 94.81 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.96 -45.49 92.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.947 -1.325 . . . . 0.0 109.096 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -39.97 87.79 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.313 -0.867 . . . . 0.0 109.016 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.8 -38.64 80.1 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.43 -26.84 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.235 -0.915 . . . . 0.0 111.171 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.91 15.96 7.68 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.909 -1.12 . . . . 0.0 110.642 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? 50.8 33.22 8.16 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.027 -1.045 . . . . 0.0 110.835 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.486 -0.758 . . . . 0.0 111.013 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.22 117.32 10.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.417 -1.427 . . . . 0.0 108.46 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.06 -40.55 94.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.361 -0.837 . . . . 0.0 113.198 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.93 -39.27 76.22 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.311 -1.493 . . . . 0.0 110.675 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.93 -39.32 76.18 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.199 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.44 -49.52 71.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.897 . . . . 0.0 109.53 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.99 -47.19 86.83 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.74 -37.11 86.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.978 -1.076 . . . . 0.0 109.279 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -67.94 -42.78 80.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.38 -46.29 67.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.07 . . . . 0.0 110.699 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.08 -48.9 78.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 0.0 110.533 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.85 -24.87 63.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 0.0 109.736 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.1 m -80.2 -34.22 37.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.163 -0.961 . . . . 0.0 110.934 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -133.06 -27.86 1.59 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.589 -1.319 . . . . 0.0 111.861 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.85 13.81 26.57 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.7 154.29 2.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.105 -1.232 . . . . 0.0 109.084 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -92.52 173.61 7.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.048 . . . . 0.0 110.343 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.02 74.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.688 -0.632 . . . . 0.0 110.431 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.76 -40.95 72.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.72 -1.237 . . . . 0.0 110.034 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.39 -38.63 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.352 -0.842 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -67.63 -38.07 83.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.184 -0.947 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -37.55 80.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.731 -1.231 . . . . 0.0 109.481 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.82 -39.94 83.86 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.709 -1.244 . . . . 0.0 110.785 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.8 -40.01 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.806 -1.184 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 66.4 t80 -59.48 -60.49 3.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.621 -1.3 . . . . 0.0 110.322 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.52 -31.55 74.99 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.53 -49.85 56.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.94 -1.329 . . . . 0.0 109.746 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.35 -40.04 70.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.97 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 82' ' ' ARG . 36.0 ttt-85 -62.94 -40.55 98.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.929 -1.107 . . . . 0.0 110.461 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 93.5 mt-10 -70.07 -38.5 75.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.165 -0.959 . . . . 0.0 110.544 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 89.6 t90 -62.39 -45.62 92.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.77 -1.206 . . . . 0.0 109.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.23 -40.1 89.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.332 -0.855 . . . . 0.0 109.571 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.2 -29.02 65.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 109.726 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.18 -34.46 12.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.202 -0.936 . . . . 0.0 110.974 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 . . . . . 0 N--CA 1.505 2.304 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.757 0.313 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 46.3 t60 -59.76 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.746 -1.221 . . . . 0.0 110.102 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 8' ' ' ARG . 51.8 mtt-85 -69.91 -34.32 73.34 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 110.255 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.08 -37.44 75.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.7 -46.68 87.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.805 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.67 15.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.253 -0.904 . . . . 0.0 110.474 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.97 -9.62 14.0 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.37 153.88 29.88 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.01 -1.056 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.68 160.69 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.908 1.739 . . . . 0.0 111.565 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -90.6 -24.84 20.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.013 -1.054 . . . . 0.0 109.661 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.83 30.59 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.49 29.93 6.12 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.406 -1.055 . . . . 0.0 110.593 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -60.52 148.68 80.31 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.756 -1.215 . . . . 0.0 108.271 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 155.93 67.83 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.14 1.893 . . . . 0.0 112.478 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.547 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.5 p -53.78 -47.07 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.57 -0.706 . . . . 0.0 110.823 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.547 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -54.73 -3.93 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.0 t -81.32 -19.9 41.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.857 -1.378 . . . . 0.0 109.089 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.4 138.68 58.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.773 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.21 57.18 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.541 0.686 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 -19.98 52.3 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mm -98.93 114.19 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.111 -1.229 . . . . 0.0 107.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.69 179.59 38.64 Favored Glycine 0 N--CA 1.495 2.592 0 O-C-N 120.625 -1.297 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.537 -0.978 . . . . 0.0 110.119 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.28 -48.19 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.88 -1.137 . . . . 0.0 109.527 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.35 -37.48 85.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.264 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.4 -39.21 94.51 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.98 -39.99 95.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -1.043 . . . . 0.0 110.132 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -65.94 -47.43 74.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.784 -1.198 . . . . 0.0 109.428 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 -39.96 95.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.206 -0.934 . . . . 0.0 109.164 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.06 -41.11 91.63 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.519 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.28 -19.5 65.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -90.26 0.59 57.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.526 -0.734 . . . . 0.0 111.018 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.27 4.68 40.86 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 120.819 -1.176 . . . . 0.0 111.706 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.96 73.7 1.08 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.79 -1.418 . . . . 0.0 108.284 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.16 -10.01 59.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.439 -0.788 . . . . 0.0 111.315 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.86 157.48 46.65 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.895 -1.128 . . . . 0.0 110.232 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.43 92.28 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -58.96 -19.41 42.87 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.369 -1.457 . . . . 0.0 111.1 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -77.9 -34.16 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.519 -1.363 . . . . 0.0 107.514 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.99 -34.46 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.01 -39.29 85.3 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.07 94.5 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.98 -45.53 92.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.943 -1.328 . . . . 0.0 109.021 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.386 -0.821 . . . . 0.0 109.06 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.75 -38.73 80.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.727 -0.789 . . . . 0.0 108.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.39 -26.74 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -89.03 16.12 7.58 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.868 -1.145 . . . . 0.0 110.579 -178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 50.56 33.34 7.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.913 -1.117 . . . . 0.0 110.813 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.0 19.98 9.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.612 -0.68 . . . . 0.0 111.024 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.24 117.28 10.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.358 -1.464 . . . . 0.0 108.434 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.98 -40.75 95.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.397 -0.814 . . . . 0.0 113.16 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.66 -39.32 77.13 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.375 -1.453 . . . . 0.0 110.776 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.97 -39.2 76.11 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.282 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -64.54 -49.47 71.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 109.53 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.1 -47.32 86.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.415 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.57 -37.12 86.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.053 -1.029 . . . . 0.0 109.314 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -68.03 -42.63 80.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.55 -46.3 66.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.902 -1.124 . . . . 0.0 110.578 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.0 -48.93 78.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.038 -1.039 . . . . 0.0 110.562 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.82 -24.91 63.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.697 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -80.25 -34.27 37.26 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.199 -0.938 . . . . 0.0 110.947 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.95 -27.93 1.6 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.58 -1.325 . . . . 0.0 111.783 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.9 13.91 26.25 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.76 154.33 2.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.019 -1.283 . . . . 0.0 109.107 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -92.6 173.55 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.045 -1.034 . . . . 0.0 110.379 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.99 74.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.631 -0.668 . . . . 0.0 110.536 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.8 -40.93 72.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.712 -1.243 . . . . 0.0 110.049 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.5 -38.46 84.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.419 -0.801 . . . . 0.0 110.892 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -67.73 -38.06 83.05 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.13 -0.981 . . . . 0.0 110.447 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.13 -37.35 79.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.776 -1.202 . . . . 0.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.01 -40.01 83.06 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.776 -1.203 . . . . 0.0 110.731 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.67 -40.13 80.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.814 -1.179 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.44 -60.4 3.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.656 -1.277 . . . . 0.0 110.362 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -31.58 75.55 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -68.52 -49.76 57.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.017 -1.284 . . . . 0.0 109.753 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -71.34 -40.07 70.93 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.945 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' B' ' 82' ' ' ARG . 35.9 ttt-85 -63.04 -40.55 98.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.989 -1.069 . . . . 0.0 110.418 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 93.4 mt-10 -69.95 -38.53 76.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.103 -0.998 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 89.8 t90 -62.48 -45.56 92.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.681 -1.262 . . . . 0.0 109.259 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.15 -40.09 88.65 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.258 -0.901 . . . . 0.0 109.594 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.29 -28.92 65.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.16 -34.45 12.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.203 -0.936 . . . . 0.0 111.015 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -111.63 -10.08 14.12 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.157 -1.589 . . . . 0.0 109.464 -179.411 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.99 -52.4 65.53 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.166 -0.959 . . . . 0.0 110.284 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 98.2 mtt180 -69.95 -33.31 71.95 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.964 -1.085 . . . . 0.0 110.311 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -64.59 -39.98 94.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.949 -1.094 . . . . 0.0 108.539 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.12 -46.8 85.61 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.776 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' CA ' ' A' ' 84' ' ' TRP . 34.1 m -93.06 7.79 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 120.928 -1.108 . . . . 0.0 111.4 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -98.09 -20.73 17.17 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.945 -1.097 . . . . 0.0 108.808 177.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -149.47 151.17 32.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.26 160.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.786 1.658 . . . . 0.0 111.85 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -89.31 -27.37 20.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.976 . . . . 0.0 109.457 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.91 -139.95 35.65 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.08 31.4 4.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.486 -1.008 . . . . 0.0 110.058 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.01 148.09 78.27 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.069 -1.019 . . . . 0.0 108.404 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.77 155.68 65.98 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.453 2.102 . . . . 0.0 112.808 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG23 HG21 ' A' ' 45' ' ' VAL . 7.6 p -53.08 -39.0 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.598 -0.689 . . . . 0.0 110.4 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -64.35 -3.4 9.26 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -80.8 -17.46 50.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.041 -1.27 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 81' ' ' LEU . 90.8 mt -64.28 133.16 52.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.36 -0.838 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 137.43 58.24 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.907 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.3 -20.15 51.06 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -100.01 120.0 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 121.183 -1.187 . . . . 0.0 108.619 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.9 177.0 39.79 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 120.713 -1.242 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -40.02 82.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.606 -0.938 . . . . 0.0 111.097 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -43.76 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.722 -1.236 . . . . 0.0 109.471 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.62 -37.64 82.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.306 -0.872 . . . . 0.0 109.38 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.91 96.19 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -63.66 -38.15 90.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -1.15 . . . . 0.0 110.348 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.87 -44.16 81.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.757 -1.214 . . . . 0.0 109.92 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.21 -39.47 94.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.95 -1.094 . . . . 0.0 109.156 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -42.2 93.88 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.769 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.72 -19.37 65.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 108.839 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.479 ' HG2' HH11 ' A' ' 37' ' ' ARG . 34.5 mtt-85 -89.98 1.86 55.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.398 -0.814 . . . . 0.0 110.458 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.59 4.6 49.22 Favored Glycine 0 N--CA 1.502 3.081 0 O-C-N 121.128 -0.983 . . . . 0.0 111.833 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.01 74.3 1.3 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.822 -1.399 . . . . 0.0 108.572 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -82.36 -12.66 57.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.391 -0.818 . . . . 0.0 110.294 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.58 149.86 50.45 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.228 -0.92 . . . . 0.0 109.555 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.04 94.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.54 -0.725 . . . . 0.0 111.22 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -58.86 -18.97 37.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.215 . . . . 0.0 111.327 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.79 -32.61 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.422 -1.424 . . . . 0.0 107.321 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 20' ' ' VAL . 89.2 t -77.91 -34.88 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 21.4 tp -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.05 -41.62 98.08 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.23 -40.16 89.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.921 -1.341 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -38.98 81.65 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.29 -30.49 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.326 -0.859 . . . . 0.0 110.73 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.75 13.8 9.86 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.969 -1.082 . . . . 0.0 110.299 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 49.91 35.83 10.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.892 -1.13 . . . . 0.0 109.745 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 60.11 20.91 10.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.563 -0.711 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -67.57 111.81 4.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.54 -1.35 . . . . 0.0 108.007 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.01 -40.02 94.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.343 -0.848 . . . . 0.0 112.704 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.4 m-20 -67.97 -39.98 83.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.531 -1.356 . . . . 0.0 109.905 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.02 -39.03 76.04 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.415 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.86 -46.35 82.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.6 mtm180 -60.04 -46.44 89.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.036 -1.04 . . . . 0.0 111.313 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -64.47 -36.05 82.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.694 -1.254 . . . . 0.0 109.051 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -62.44 -49.53 75.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 111.4 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -49.24 62.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.005 -1.06 . . . . 0.0 110.59 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.12 -47.21 83.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.933 . . . . 0.0 109.936 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.0 t0 -67.91 -27.6 66.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.535 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 m -78.98 -37.06 40.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 111.472 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.32 -23.59 2.65 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.629 -1.294 . . . . 0.0 112.275 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 13.33 30.31 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 155.43 2.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.188 -1.183 . . . . 0.0 109.448 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -88.01 169.65 11.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.987 -1.071 . . . . 0.0 109.467 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -28.29 69.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.434 -0.791 . . . . 0.0 110.683 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.14 -42.41 72.59 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.807 -1.183 . . . . 0.0 110.402 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.895 . . . . 0.0 110.748 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.26 -39.12 89.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.898 -1.126 . . . . 0.0 110.303 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -59.92 -38.86 83.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.811 -1.181 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.82 -38.21 79.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.866 -1.147 . . . . 0.0 110.568 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.36 -39.91 81.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.823 -1.173 . . . . 0.0 109.496 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.94 -60.41 3.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.026 -1.046 . . . . 0.0 109.975 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.37 -33.23 83.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.0 t -68.77 -49.15 61.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.997 -1.296 . . . . 0.0 109.727 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 23' ' ' LEU . 95.7 mt -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.385 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -62.39 -40.86 97.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 110.275 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.09 -36.69 80.2 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.031 -1.043 . . . . 0.0 109.825 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.501 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 68.0 t90 -59.82 -43.37 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.66 -1.275 . . . . 0.0 107.659 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 m -61.59 -40.63 95.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.418 -0.801 . . . . 0.0 108.84 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.36 -39.56 87.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.49 -38.82 16.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.142 -0.974 . . . . 0.0 110.674 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.3 m-85 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.201 -0.937 . . . . 0.0 110.517 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -59.98 -52.44 65.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.031 -1.043 . . . . 0.0 110.313 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 98.1 mtt180 -70.0 -33.21 71.73 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.978 -1.076 . . . . 0.0 110.241 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.75 -40.13 94.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.972 -1.08 . . . . 0.0 108.392 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.62 -46.93 85.98 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.901 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.443 HG12 ' CA ' ' B' ' 84' ' ' TRP . 34.0 m -93.38 8.34 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.824 -1.172 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -98.39 -20.99 16.83 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.018 -1.051 . . . . 0.0 108.665 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -149.33 151.16 33.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.29 160.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.79 1.66 . . . . 0.0 111.807 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.0 ptp -89.56 -26.92 20.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.131 -0.98 . . . . 0.0 109.509 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.43 -140.23 33.3 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -104.73 31.41 4.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.503 -0.998 . . . . 0.0 110.196 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.98 148.24 77.67 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 120.994 -1.067 . . . . 0.0 108.399 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.73 155.65 66.01 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.426 2.084 . . . . 0.0 112.884 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.449 HG23 HG21 ' B' ' 45' ' ' VAL . 7.6 p -53.08 -39.09 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.68 -0.638 . . . . 0.0 110.307 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -64.3 -3.04 8.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -81.16 -17.62 49.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.328 . . . . 0.0 108.895 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 81' ' ' LEU . 90.5 mt -64.24 133.05 52.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.825 . . . . 0.0 109.57 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.58 136.93 58.19 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.043 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.73 -19.89 51.59 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.14 119.98 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.223 -1.163 . . . . 0.0 108.501 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.82 176.94 39.86 Favored Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.754 -1.216 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.73 -39.96 82.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.919 . . . . 0.0 111.105 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -44.02 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.712 -1.242 . . . . 0.0 109.398 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.43 -37.51 83.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.39 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.03 96.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -63.53 -38.6 91.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.205 -1.174 . . . . 0.0 110.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.11 -39.44 94.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.258 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.848 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.73 -19.48 65.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 0.0 108.805 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.482 HH11 ' HG2' ' B' ' 37' ' ' ARG . 34.4 mtt-85 -90.02 2.52 55.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.442 -0.786 . . . . 0.0 110.413 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.07 4.61 50.85 Favored Glycine 0 N--CA 1.502 3.088 0 C-N-CA 120.224 -0.989 . . . . 0.0 111.868 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.22 74.66 1.3 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.903 -1.351 . . . . 0.0 108.546 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -82.88 -12.36 57.46 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.304 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.7 150.08 50.41 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.228 -0.92 . . . . 0.0 109.558 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.65 92.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.556 -0.715 . . . . 0.0 111.211 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -59.15 -19.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.77 -1.206 . . . . 0.0 111.297 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.67 -32.05 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.517 -1.364 . . . . 0.0 107.408 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.449 HG21 HG23 ' B' ' 20' ' ' VAL . 88.3 t -78.28 -34.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 21.9 tp -59.98 -37.87 80.91 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.77 98.03 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.951 -1.323 . . . . 0.0 109.039 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.96 -39.95 87.36 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -39.46 81.51 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.81 -30.3 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.417 -0.802 . . . . 0.0 110.816 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -88.1 14.33 9.38 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.106 -0.996 . . . . 0.0 110.31 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 49.6 35.87 9.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.839 -1.163 . . . . 0.0 109.638 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 60.03 20.29 9.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.97 111.89 4.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.536 -1.352 . . . . 0.0 107.934 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.15 -40.17 94.0 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.307 -0.87 . . . . 0.0 112.652 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.3 m-20 -67.76 -39.86 84.13 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.404 -1.435 . . . . 0.0 109.969 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.96 -38.98 76.27 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.434 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -65.1 -46.21 81.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.7 mtm180 -59.98 -47.12 87.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.653 -1.279 . . . . 0.0 109.231 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -62.72 -49.25 75.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 111.464 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -68.18 -49.54 60.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.119 -0.988 . . . . 0.0 110.5 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.78 -47.32 84.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.112 -0.993 . . . . 0.0 109.959 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.9 t0 -67.88 -27.6 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -79.03 -37.04 40.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 111.452 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.16 -24.07 2.64 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.64 -1.288 . . . . 0.0 112.288 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.91 13.89 28.23 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.62 155.47 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -1.187 . . . . 0.0 109.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -87.99 169.63 11.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.986 -1.071 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.0 69.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.433 -0.792 . . . . 0.0 110.645 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.34 -42.49 71.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.848 -1.158 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.02 -36.58 82.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 0.0 110.797 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.52 -38.91 88.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.036 -1.04 . . . . 0.0 110.283 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.0 -38.57 83.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.738 -1.226 . . . . 0.0 109.563 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.13 -38.57 78.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.72 -1.238 . . . . 0.0 110.515 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -67.98 -40.05 83.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.846 -1.159 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.88 -60.27 4.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.968 -1.082 . . . . 0.0 110.09 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.06 83.48 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.82 -49.19 60.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.984 -1.303 . . . . 0.0 109.749 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.655 HD21 HD22 ' B' ' 23' ' ' LEU . 95.8 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.26 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.6 -40.44 96.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.152 -0.967 . . . . 0.0 110.256 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.044 -1.035 . . . . 0.0 109.809 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.51 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 68.0 t90 -59.95 -43.23 95.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.687 -1.258 . . . . 0.0 107.716 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 m -61.73 -40.59 95.62 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.67 -39.03 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.57 -0.706 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.81 -39.03 16.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 110.595 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -104.31 -85.84 0.46 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.423 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.331 -179.538 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.136 0.493 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.492 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.7 t60 -59.61 -51.83 68.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -70.02 -33.95 72.66 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.916 -1.115 . . . . 0.0 109.982 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -71.1 -38.49 72.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.552 -0.718 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.93 -41.33 82.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.0 110.236 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.47 13.4 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 109.558 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.48 -9.3 13.82 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.497 -0.752 . . . . 0.0 110.882 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.52 153.85 28.52 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 120.862 -1.149 . . . . 0.0 109.276 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.74 160.35 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.829 1.686 . . . . 0.0 111.478 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.613 ' HE3' HD22 ' A' ' 46' ' ' LEU . 7.8 ptp -88.54 -20.96 24.39 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.8 -140.02 16.73 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -102.4 27.58 6.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.403 -1.057 . . . . 0.0 110.719 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -60.43 149.88 75.54 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.887 -1.133 . . . . 0.0 108.697 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 159.99 51.31 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.338 2.025 . . . . 0.0 112.493 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.1 p -55.01 -47.57 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.656 -0.653 . . . . 0.0 110.556 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.0 -4.12 0.15 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 20' ' ' VAL . 14.8 t -82.91 -21.43 34.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.738 -1.448 . . . . 0.0 109.607 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 136.37 57.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.459 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 138.84 58.67 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.674 0.75 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.07 -16.51 60.78 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -100.91 116.66 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.352 -1.087 . . . . 0.0 108.315 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.428 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.71 178.24 37.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -59.45 -40.12 85.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -1.079 . . . . 0.0 110.215 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.09 -45.72 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.882 -1.136 . . . . 0.0 108.992 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.4 mt -65.25 -37.05 86.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.503 -0.748 . . . . 0.0 109.279 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.96 95.42 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.01 -40.03 95.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -1.175 . . . . 0.0 110.419 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.94 -48.82 67.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.761 -1.212 . . . . 0.0 109.664 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.37 -40.01 92.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.994 -1.066 . . . . 0.0 109.221 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -41.26 91.78 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.623 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.53 -19.4 64.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 109.112 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -90.02 -0.01 57.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.53 -0.731 . . . . 0.0 110.33 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.66 3.61 43.19 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.023 -1.048 . . . . 0.0 111.887 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.75 75.06 1.27 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.827 -1.396 . . . . 0.0 108.148 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -82.22 -10.42 59.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 111.131 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.7 159.27 42.53 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.937 -1.102 . . . . 0.0 110.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.33 88.96 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.36 -20.08 58.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 111.652 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.47 -33.46 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.407 -1.433 . . . . 0.0 107.503 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.11 -38.39 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.613 HD22 ' HE3' ' A' ' 15' ' ' MET . 59.4 tp -60.0 -39.88 87.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.33 -47.3 56.47 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -60.76 -42.96 98.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.068 -1.254 . . . . 0.0 109.596 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.01 -41.29 91.83 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.208 -0.932 . . . . 0.0 108.792 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.49 -37.88 83.52 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.12 -25.58 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 14.11 10.5 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.949 -1.094 . . . . 0.0 110.242 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.0 36.68 8.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.894 -1.129 . . . . 0.0 110.396 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.04 20.4 9.55 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.437 -0.789 . . . . 0.0 110.841 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.54 114.56 5.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.22 -1.55 . . . . 0.0 108.207 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.48 -42.37 92.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.368 -0.832 . . . . 0.0 112.77 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.7 m-20 -68.74 -39.78 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.561 -1.337 . . . . 0.0 110.061 -178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.03 -38.79 75.98 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.015 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.08 -48.01 77.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.0 109.845 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.8 mtm180 -60.06 -46.94 87.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.267 -0.896 . . . . 0.0 111.334 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.09 -35.68 81.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.66 -1.275 . . . . 0.0 109.238 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -61.64 -49.22 77.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 111.512 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.09 -45.1 74.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.813 -1.179 . . . . 0.0 110.37 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.66 -49.18 76.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.012 -1.055 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 29.8 t0 -67.15 -29.63 69.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.524 -0.735 . . . . 0.0 109.42 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.8 m -76.63 -35.57 57.95 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.512 -0.742 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.19 -31.4 1.12 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.676 -1.265 . . . . 0.0 112.243 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.74 17.65 8.97 Favored Glycine 0 N--CA 1.503 3.132 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 153.53 2.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.093 -1.24 . . . . 0.0 109.453 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.29 170.64 10.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.062 -1.024 . . . . 0.0 109.843 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.44 70.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.532 -0.73 . . . . 0.0 110.998 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.49 -41.41 66.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.877 -1.139 . . . . 0.0 110.695 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -38.12 85.11 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.23 -0.919 . . . . 0.0 110.746 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.8 m -66.19 -36.79 84.01 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.946 . . . . 0.0 109.737 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' A' ' 75' ' ' ARG . 19.6 mmm-85 -60.07 -38.96 84.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.977 -1.077 . . . . 0.0 109.491 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -68.43 -39.93 81.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.794 -1.191 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.94 -39.94 79.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.689 -1.257 . . . . 0.0 109.85 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -60.41 3.86 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.727 -1.233 . . . . 0.0 110.136 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.63 81.91 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.65 -44.97 72.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.282 . . . . 0.0 109.821 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.92 -39.03 76.38 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.936 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.37 -40.58 91.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 0.0 110.016 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 98.2 mt-10 -69.96 -39.16 76.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.207 -0.933 . . . . 0.0 110.92 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.6 t90 -61.82 -46.92 87.41 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.393 -1.442 . . . . 0.0 108.402 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -60.1 -40.04 88.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -0.824 . . . . 0.0 109.839 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.48 -31.9 69.77 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.134 -0.979 . . . . 0.0 110.05 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.65 -31.71 15.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.163 -0.961 . . . . 0.0 110.718 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 89.1 m-85 . . . . . 0 N--CA 1.503 2.218 0 O-C-N 121.258 -0.901 . . . . 0.0 111.913 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.209 0.528 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.6 t60 -59.65 -51.87 67.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.071 -1.018 . . . . 0.0 110.819 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -70.15 -33.7 72.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.87 -1.144 . . . . 0.0 109.873 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.29 -38.15 71.8 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.517 -0.74 . . . . 0.0 110.115 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -68.27 -41.14 81.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.149 -0.969 . . . . 0.0 110.278 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.64 13.2 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.021 -1.049 . . . . 0.0 109.521 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.28 -9.17 13.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.763 . . . . 0.0 110.781 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -154.59 153.92 28.54 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.735 -1.228 . . . . 0.0 109.369 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -43.75 160.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.472 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.596 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.9 ptp -88.45 -21.0 24.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.982 -1.074 . . . . 0.0 109.709 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.99 -140.04 17.75 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -102.44 27.93 6.4 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.491 -1.006 . . . . 0.0 110.592 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -60.74 149.9 77.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.849 -1.157 . . . . 0.0 108.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.72 159.94 51.58 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.328 2.018 . . . . 0.0 112.521 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -55.02 -47.51 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.684 -0.635 . . . . 0.0 110.556 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.472 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.1 -4.22 0.17 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 15.1 t -82.69 -21.43 34.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.716 -1.461 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.48 136.54 57.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -0.997 . . . . 0.0 109.49 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.608 0.718 . . . . 0.0 109.698 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 -16.66 60.39 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -100.9 116.58 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.328 -1.101 . . . . 0.0 108.32 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLY . . . . . 0.415 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.72 178.33 37.86 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.51 -40.04 85.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -1.086 . . . . 0.0 110.362 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.17 -45.68 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 108.995 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.415 HD12 ' H ' ' B' ' 27' ' ' GLY . 90.8 mt -65.27 -37.0 85.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.456 -0.777 . . . . 0.0 109.301 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.45 -40.04 95.65 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.92 -39.89 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -1.105 . . . . 0.0 110.483 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.97 -48.58 68.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.621 -1.299 . . . . 0.0 109.809 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.58 -39.88 92.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.856 -1.152 . . . . 0.0 109.194 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -41.23 91.93 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.611 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.6 -19.28 64.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.295 -0.878 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.98 -0.1 57.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.756 . . . . 0.0 110.329 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.51 3.55 43.69 Favored Glycine 0 N--CA 1.504 3.223 0 O-C-N 121.08 -1.012 . . . . 0.0 111.89 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.57 74.9 1.28 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.794 -1.415 . . . . 0.0 108.225 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -81.87 -10.78 59.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.469 -0.77 . . . . 0.0 111.132 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.42 159.12 42.87 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.62 88.01 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.01 -20.15 56.29 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.418 -1.426 . . . . 0.0 111.63 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.42 -33.67 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.343 -1.473 . . . . 0.0 107.551 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.95 -38.27 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.596 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.8 tp -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.56 -46.81 58.48 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.98 -42.97 99.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.54 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -60.1 -41.3 92.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.918 . . . . 0.0 108.781 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.44 -37.96 83.81 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.06 -25.73 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.327 -0.858 . . . . 0.0 110.674 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.32 14.01 10.42 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.866 -1.146 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 48.99 36.8 9.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.854 -1.154 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 59.88 20.55 9.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.444 -0.785 . . . . 0.0 110.866 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -66.66 114.27 5.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.284 -1.51 . . . . 0.0 108.262 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.25 -42.14 93.61 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.819 . . . . 0.0 112.827 -178.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.4 m-20 -68.96 -39.95 79.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.592 -1.318 . . . . 0.0 110.064 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.8 -38.91 76.79 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.085 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.91 -48.03 78.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.815 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.6 mtm180 -60.06 -46.7 88.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 111.467 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.2 -36.0 82.65 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.749 -1.22 . . . . 0.0 109.285 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -61.39 -49.27 77.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.133 -0.98 . . . . 0.0 111.58 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.02 -44.98 75.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.906 -1.122 . . . . 0.0 110.427 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.78 -49.13 76.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.325 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.9 t0 -67.15 -29.81 69.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.454 -0.779 . . . . 0.0 109.409 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.5 m -76.44 -35.92 58.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.409 -0.807 . . . . 0.0 111.005 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.02 -31.42 1.14 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.652 -1.28 . . . . 0.0 112.302 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.88 17.33 9.11 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.17 153.59 2.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.44 170.71 10.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.111 -0.993 . . . . 0.0 109.855 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.52 70.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.499 -0.75 . . . . 0.0 110.868 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.53 -41.27 66.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.937 -1.102 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.0 -38.3 85.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.862 . . . . 0.0 110.742 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -66.0 -36.8 84.27 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.186 -0.946 . . . . 0.0 109.784 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' B' ' 75' ' ' ARG . 19.5 mmm-85 -60.04 -38.94 84.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.947 -1.096 . . . . 0.0 109.57 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.33 -39.91 81.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.782 -1.199 . . . . 0.0 110.822 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.98 -40.06 79.04 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.704 -1.247 . . . . 0.0 109.77 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.98 -60.45 3.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.657 -1.277 . . . . 0.0 110.092 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.39 -32.74 82.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.54 -45.08 73.12 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.255 . . . . 0.0 109.79 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.03 -39.05 75.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.977 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.18 -40.69 90.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.951 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.49 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 98.3 mt-10 -69.99 -39.14 76.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.823 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.1 t90 -61.58 -47.16 86.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.415 -1.428 . . . . 0.0 108.399 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' B' ' 89' ' ' LEU . 35.5 m -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.465 -0.772 . . . . 0.0 109.951 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.44 -32.0 69.81 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.165 -0.959 . . . . 0.0 110.058 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.55 -31.64 15.13 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.149 -0.969 . . . . 0.0 110.803 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 89.0 m-85 -111.13 2.32 17.79 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.266 -0.896 . . . . 0.0 111.779 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.2 tp . . . . . 0 N--CA 1.501 2.075 0 O-C-N 120.731 -1.23 . . . . 0.0 109.375 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.02 -51.31 70.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 110.75 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -69.94 -32.0 70.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.165 -0.96 . . . . 0.0 109.818 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -72.56 -39.68 67.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.458 -0.776 . . . . 0.0 110.446 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.74 -40.0 84.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 110.285 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.98 17.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.058 . . . . 0.0 110.02 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.41 -5.35 9.85 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.411 -0.806 . . . . 0.0 110.593 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.76 150.04 22.23 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.733 -1.229 . . . . 0.0 109.789 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -41.94 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.195 1.93 . . . . 0.0 111.867 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.661 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.8 ptp -92.47 -21.15 20.33 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.072 -1.018 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.97 -139.96 32.06 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -104.8 32.26 4.26 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.478 -1.013 . . . . 0.0 109.906 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.07 149.65 73.62 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.979 -1.076 . . . . 0.0 109.296 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.31 156.95 64.04 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.2 p -55.09 -41.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.539 -0.726 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.43 -4.38 9.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t -81.55 -21.4 38.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.706 -1.467 . . . . 0.0 109.195 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.33 141.04 58.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.699 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 135.17 56.59 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.712 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.42 -22.84 34.86 Favored Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 mm -98.76 120.02 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.013 -1.286 . . . . 0.0 108.695 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.42 178.2 38.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.5 -40.04 81.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -1.135 . . . . 0.0 109.982 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.63 -45.78 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.419 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.6 mt -65.87 -36.84 84.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 109.521 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.44 95.66 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.73 -39.91 95.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -1.099 . . . . 0.0 110.725 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -66.99 -48.92 66.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.637 -1.289 . . . . 0.0 110.181 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.42 -39.7 88.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.058 -1.026 . . . . 0.0 108.908 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.96 -45.77 91.58 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.814 -0.755 . . . . 0.0 109.955 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.76 -19.08 65.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.12 -0.988 . . . . 0.0 108.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' A' ' 37' ' ' ARG . 30.2 mtt-85 -89.66 0.94 56.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 110.586 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.71 3.31 43.13 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.086 -1.009 . . . . 0.0 111.837 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.42 74.58 1.18 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.79 -1.418 . . . . 0.0 108.149 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -82.2 -9.98 59.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.79 . . . . 0.0 110.553 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.92 156.84 48.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.197 -0.939 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -60.87 -19.33 60.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.376 -1.453 . . . . 0.0 111.642 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.3 t -78.08 -32.69 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.357 -1.465 . . . . 0.0 107.379 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.9 -38.16 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 ' CE ' ' A' ' 15' ' ' MET . 46.9 tp -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.89 -40.4 96.78 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.27 -41.12 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.017 -1.284 . . . . 0.0 108.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.99 -40.04 87.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.29 -38.74 81.98 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.92 -30.65 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.391 -0.818 . . . . 0.0 110.144 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.46 15.51 7.79 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.23 33.14 6.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.901 -1.125 . . . . 0.0 110.147 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 60.68 20.1 10.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.853 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -66.28 115.77 6.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.562 -1.337 . . . . 0.0 107.998 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.1 tt0 -66.79 -40.94 88.3 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.134 -0.979 . . . . 0.0 112.985 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.93 -40.03 79.25 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.69 -1.256 . . . . 0.0 109.628 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.95 -38.39 76.11 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.41 -47.18 83.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.481 -0.762 . . . . 0.0 109.819 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 99.0 mtt180 -59.96 -46.16 90.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.367 -0.833 . . . . 0.0 111.307 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.36 -36.47 83.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.594 -1.316 . . . . 0.0 108.931 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -63.66 -46.64 84.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.277 -0.889 . . . . 0.0 110.699 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.65 -47.64 68.97 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -59.98 -48.49 81.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 26.6 t0 -68.39 -31.8 71.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 0.0 109.717 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.2 m -75.49 -38.97 59.16 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.927 . . . . 0.0 111.824 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -133.47 -30.86 1.26 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.273 -1.517 . . . . 0.0 112.405 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.23 15.44 12.63 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.44 153.26 1.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.885 -1.362 . . . . 0.0 109.084 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -89.92 172.28 8.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.87 -1.144 . . . . 0.0 109.729 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.67 73.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.5 -39.96 70.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.921 -1.112 . . . . 0.0 109.625 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.75 -39.47 87.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.473 -0.767 . . . . 0.0 110.8 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 p -66.78 -38.57 86.8 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.063 -1.023 . . . . 0.0 109.969 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.01 -37.93 81.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.875 -1.141 . . . . 0.0 109.691 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -67.84 -38.82 83.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.642 -1.286 . . . . 0.0 110.608 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.822 -1.174 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.01 -59.68 5.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.627 -1.295 . . . . 0.0 110.128 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -59.99 -32.33 75.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.94 -50.87 45.51 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.201 -1.176 . . . . 0.0 109.694 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.89 -40.02 72.47 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.587 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.93 -40.83 94.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.042 -1.037 . . . . 0.0 110.386 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -69.99 -38.62 76.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.738 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.5 t90 -60.18 -46.29 90.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.358 -1.464 . . . . 0.0 108.405 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.04 -40.03 87.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.0 109.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.96 -35.2 74.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.401 -0.812 . . . . 0.0 110.394 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -34.95 18.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.968 -1.082 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.7 m-85 . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.28 -0.887 . . . . 0.0 110.194 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.93 -51.29 70.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.935 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.05 -31.9 69.75 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -72.63 -39.64 67.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -67.84 -39.95 83.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.306 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.3 m -83.06 17.86 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.45 -5.44 9.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.376 -0.828 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.69 150.05 22.36 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.786 -1.196 . . . . 0.0 109.744 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.01 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.243 1.962 . . . . 0.0 111.817 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.653 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.9 ptp -92.62 -20.8 20.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.045 -1.034 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.53 -139.94 30.2 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.75 32.5 4.09 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.437 -1.037 . . . . 0.0 109.888 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.43 149.84 75.7 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.972 -1.08 . . . . 0.0 109.291 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.41 156.85 64.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.574 2.183 . . . . 0.0 112.593 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.3 p -55.02 -41.7 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.473 -0.767 . . . . 0.0 110.37 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.3 -4.37 8.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -81.67 -21.17 38.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.735 -1.45 . . . . 0.0 109.276 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.49 141.04 58.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.245 -0.909 . . . . 0.0 109.684 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 135.16 56.54 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.663 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.39 -22.72 35.28 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -98.77 120.07 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.998 -1.295 . . . . 0.0 108.583 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 178.22 38.16 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.65 -39.9 81.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.337 -1.096 . . . . 0.0 110.024 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.63 -45.84 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 109.431 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.77 -36.89 84.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 109.529 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.41 95.59 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.68 -40.09 95.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.687 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -66.83 -48.97 67.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.624 -1.297 . . . . 0.0 110.175 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.56 -39.42 87.9 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.035 -1.041 . . . . 0.0 108.954 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.08 -45.9 91.36 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.836 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.62 -19.12 65.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 108.962 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' B' ' 37' ' ' ARG . 30.1 mtt-85 -89.47 0.74 56.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.166 -0.959 . . . . 0.0 110.667 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.87 3.37 42.58 Favored Glycine 0 N--CA 1.504 3.203 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.772 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -104.57 74.46 1.16 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.395 . . . . 0.0 108.125 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -81.98 -10.14 59.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.488 -0.757 . . . . 0.0 110.575 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.79 156.97 47.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.129 -0.982 . . . . 0.0 110.08 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.4 89.7 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -60.64 -19.62 58.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.358 -1.464 . . . . 0.0 111.655 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 51.0 t -78.08 -32.6 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.392 -1.442 . . . . 0.0 107.415 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.86 -38.23 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.653 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.8 tp -60.09 -39.08 84.87 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.88 -40.44 96.81 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -60.09 -41.19 91.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.998 -1.295 . . . . 0.0 108.732 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.34 -38.66 81.72 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.01 -30.47 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 0.0 110.16 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.72 15.64 7.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.07 -1.019 . . . . 0.0 109.978 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.21 32.97 6.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.864 -1.147 . . . . 0.0 110.246 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 60.78 20.12 10.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.656 -0.653 . . . . 0.0 110.803 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.41 115.84 6.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.692 -1.255 . . . . 0.0 107.892 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.1 tt0 -66.84 -41.09 88.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.156 -0.965 . . . . 0.0 113.007 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.78 -39.94 79.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.811 -1.181 . . . . 0.0 109.671 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.97 -38.44 76.06 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.336 -0.946 . . . . 0.0 108.774 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.39 -47.08 83.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.449 -0.782 . . . . 0.0 109.894 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 99.0 mtt180 -60.03 -46.16 90.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 0.0 111.33 -178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.27 -36.66 84.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.695 -1.253 . . . . 0.0 108.922 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -63.54 -46.58 85.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 110.738 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.78 -47.57 68.8 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.094 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.08 -48.41 81.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 26.2 t0 -68.49 -31.66 71.1 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.691 -0.631 . . . . 0.0 109.676 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -75.47 -39.05 59.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.0 111.854 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.0 p -133.41 -31.0 1.25 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.393 -1.442 . . . . 0.0 112.322 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.15 15.63 12.45 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.63 153.31 1.21 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.937 -1.331 . . . . 0.0 109.048 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -89.79 172.25 9.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.802 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.92 73.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.498 -0.751 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.41 -39.91 70.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.943 -1.098 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.72 -39.58 88.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.443 -0.785 . . . . 0.0 110.765 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 11.2 p -66.68 -38.52 86.96 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.122 -0.986 . . . . 0.0 110.055 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -59.96 -37.94 81.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.05 -38.57 82.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.649 -1.282 . . . . 0.0 110.593 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.42 -40.02 85.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.852 -1.155 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.01 -59.52 5.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.587 -1.321 . . . . 0.0 110.075 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -60.09 -32.29 75.5 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.09 -50.85 44.54 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.225 -1.162 . . . . 0.0 109.605 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.84 -40.02 72.62 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.559 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -61.14 -40.77 95.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.0 -1.062 . . . . 0.0 110.31 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.0 -38.69 76.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 110.612 -179.303 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.0 t90 -60.2 -46.14 90.74 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.358 -1.464 . . . . 0.0 108.482 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.414 -0.804 . . . . 0.0 109.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.0 -35.15 74.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.476 -0.765 . . . . 0.0 110.425 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.13 18.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.071 -1.018 . . . . 0.0 110.263 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.0 m-85 -104.87 -85.81 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.33 -0.856 . . . . 0.0 110.288 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.971 -1.081 . . . . 0.0 109.124 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -59.59 -49.19 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.166 -0.959 . . . . 0.0 110.461 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -69.97 -31.73 69.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.953 -1.092 . . . . 0.0 109.772 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.92 -38.89 69.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -67.36 -39.95 85.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 110.211 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.76 16.78 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.326 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.68 -4.63 9.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.342 -0.849 . . . . 0.0 110.663 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.28 150.48 23.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.768 -1.207 . . . . 0.0 109.282 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -42.23 159.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.708 1.605 . . . . 0.0 111.472 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.39 -21.93 21.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.885 -1.134 . . . . 0.0 109.051 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.92 -137.38 27.89 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.39 33.57 4.25 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.653 -0.91 . . . . 0.0 110.272 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -60.02 150.01 71.71 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.108 -0.995 . . . . 0.0 109.045 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.2 152.42 81.3 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.216 1.944 . . . . 0.0 112.083 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.89 -40.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.535 -0.728 . . . . 0.0 110.419 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.52 -4.3 12.7 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -82.5 -22.66 34.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.792 -1.417 . . . . 0.0 109.2 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.19 139.2 58.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.967 . . . . 0.0 109.391 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 139.05 58.49 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.728 0.775 . . . . 0.0 110.208 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 94.04 -14.58 65.0 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.76 116.99 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.06 -1.259 . . . . 0.0 108.27 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 178.74 36.84 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.26 -39.87 80.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -1.012 . . . . 0.0 110.433 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.92 -47.39 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 120.834 -1.166 . . . . 0.0 109.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.94 -37.13 85.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.204 -0.935 . . . . 0.0 109.791 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.02 96.43 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.61 -39.83 95.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.29 -1.124 . . . . 0.0 110.589 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.29 -44.17 79.91 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.753 -1.217 . . . . 0.0 109.979 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.65 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.931 -1.105 . . . . 0.0 108.741 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -44.35 94.54 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.977 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.82 -19.37 65.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.227 -0.92 . . . . 0.0 108.813 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.92 -0.01 57.0 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.323 -0.861 . . . . 0.0 110.315 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.12 3.97 35.79 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.151 -0.968 . . . . 0.0 111.807 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -105.47 75.43 1.15 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.934 -1.333 . . . . 0.0 109.489 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -82.02 -13.15 57.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.06 151.39 50.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.393 -0.817 . . . . 0.0 109.469 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.74 94.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.617 -0.677 . . . . 0.0 111.275 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -60.0 -20.06 55.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.638 -1.289 . . . . 0.0 111.325 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.93 -32.54 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.476 -1.39 . . . . 0.0 107.313 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.41 -35.75 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -44.4 91.53 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.49 -43.81 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.903 -1.351 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.58 -39.38 81.0 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.0 -25.53 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.376 -0.828 . . . . 0.0 110.62 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.68 14.67 11.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.921 -1.112 . . . . 0.0 110.825 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.4 36.54 13.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.8 -1.188 . . . . 0.0 110.637 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 60.05 20.51 9.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.469 -0.769 . . . . 0.0 110.706 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -68.19 113.64 6.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.388 -1.445 . . . . 0.0 108.346 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.33 -40.66 93.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.545 -0.722 . . . . 0.0 112.906 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -39.33 75.9 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.701 -1.249 . . . . 0.0 109.899 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.81 -39.09 76.73 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.066 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.28 -46.92 84.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.055 -1.028 . . . . 0.0 109.772 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -60.01 -46.06 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.407 -0.808 . . . . 0.0 111.18 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.86 -38.13 89.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.76 -1.212 . . . . 0.0 108.641 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -61.46 -49.38 77.05 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.99 -48.69 65.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.996 -1.065 . . . . 0.0 110.141 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.47 -47.44 85.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.965 . . . . 0.0 109.588 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.39 -30.28 69.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.712 -0.617 . . . . 0.0 109.766 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -79.44 -33.61 42.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -0.929 . . . . 0.0 111.159 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.98 -29.72 1.43 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.556 -1.34 . . . . 0.0 112.382 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.02 15.54 16.02 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.84 154.16 2.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.123 -1.222 . . . . 0.0 109.271 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -90.88 171.8 9.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.024 -1.047 . . . . 0.0 110.024 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.77 72.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.614 -0.679 . . . . 0.0 110.939 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 9.3 mtpm? -72.08 -40.2 68.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 0.0 110.439 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.5 mm100 -68.59 -36.69 79.04 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 110.625 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 -38.07 81.22 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 110.034 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.83 -37.57 82.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.868 -1.145 . . . . 0.0 110.046 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -67.93 -39.88 83.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.586 -1.321 . . . . 0.0 110.762 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.39 -39.95 77.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.893 -1.129 . . . . 0.0 110.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.34 -59.93 4.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.701 -1.249 . . . . 0.0 110.142 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.38 -32.46 77.33 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -68.6 -49.17 61.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -1.179 . . . . 0.0 109.823 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.04 -40.0 75.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.546 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -60.69 -40.16 91.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.105 -0.997 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.12 -37.72 75.4 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.196 -0.94 . . . . 0.0 110.942 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 90.8 t90 -62.33 -43.73 98.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.341 -1.474 . . . . 0.0 109.104 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.23 -40.08 88.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 109.844 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.96 -30.47 67.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.37 -33.58 13.81 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.166 -0.959 . . . . 0.0 111.086 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.7 m-85 . . . . . 0 N--CA 1.503 2.214 0 O-C-N 121.293 -0.88 . . . . 0.0 111.875 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.435 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.7 t60 -59.48 -49.15 78.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.091 -1.006 . . . . 0.0 110.511 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.404 HH11 ' HG3' ' B' ' 8' ' ' ARG . 24.1 mmm-85 -70.04 -31.71 69.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.977 -1.077 . . . . 0.0 109.802 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.79 -39.24 70.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.347 -0.846 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.07 -39.98 86.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.414 -0.804 . . . . 0.0 110.256 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.78 17.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.951 . . . . 0.0 110.277 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -4.89 9.68 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.792 . . . . 0.0 110.734 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.13 150.51 24.1 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 120.75 -1.219 . . . . 0.0 109.295 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.26 159.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.67 1.58 . . . . 0.0 111.517 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.54 -21.42 21.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.886 -1.133 . . . . 0.0 109.113 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 -137.4 24.79 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.1 33.54 4.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.573 -0.957 . . . . 0.0 110.28 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -60.07 150.01 72.18 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.039 -1.038 . . . . 0.0 109.083 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.07 152.47 80.86 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.259 1.972 . . . . 0.0 112.073 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.93 -40.46 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.554 -0.716 . . . . 0.0 110.416 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 -3.93 11.51 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.8 t -82.87 -22.77 33.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.784 -1.421 . . . . 0.0 109.147 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.12 139.06 58.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.928 . . . . 0.0 109.375 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 138.96 58.49 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.79 0.805 . . . . 0.0 110.305 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 94.14 -14.41 65.37 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.1 mm -101.85 117.13 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.153 -1.204 . . . . 0.0 108.218 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.72 178.57 36.55 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.15 -40.02 80.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -1.009 . . . . 0.0 110.367 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.7 -47.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.908 -1.12 . . . . 0.0 109.832 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.76 -37.23 85.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.712 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.99 96.38 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.51 -40.08 96.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.245 -1.15 . . . . 0.0 110.501 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.609 -1.307 . . . . 0.0 110.029 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.67 -39.76 95.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.022 -1.049 . . . . 0.0 108.835 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -44.39 94.61 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.953 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -65.81 -19.37 65.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 108.776 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.9 0.14 56.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.418 -0.801 . . . . 0.0 110.31 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 4.15 36.28 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 121.038 -1.039 . . . . 0.0 111.823 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.78 75.64 1.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.829 -1.394 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -82.33 -12.98 57.63 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.781 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.03 151.55 50.45 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.333 -0.854 . . . . 0.0 109.487 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.51 93.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.639 -0.663 . . . . 0.0 111.302 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -60.0 -20.63 58.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.662 -1.274 . . . . 0.0 111.319 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -78.57 -32.47 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.441 -1.412 . . . . 0.0 107.228 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.5 -35.71 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.91 -39.61 86.0 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.14 -44.92 88.63 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.16 -43.76 95.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.962 -1.317 . . . . 0.0 109.245 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -39.86 81.17 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.61 -25.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.385 -0.822 . . . . 0.0 110.648 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.0 15.16 10.53 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.919 -1.113 . . . . 0.0 110.718 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.03 36.59 12.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.807 -1.183 . . . . 0.0 110.672 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.01 20.07 9.18 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.508 -0.745 . . . . 0.0 110.682 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.76 113.8 5.83 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.375 -1.453 . . . . 0.0 108.252 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.41 -41.09 93.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.584 -0.697 . . . . 0.0 112.823 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.67 -39.26 77.11 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.576 -1.327 . . . . 0.0 109.889 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.87 -38.85 76.54 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.086 -1.045 . . . . 0.0 109.156 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.56 -46.85 84.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.084 -1.01 . . . . 0.0 109.813 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -59.95 -46.7 88.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.0 111.053 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.37 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.75 -1.219 . . . . 0.0 108.771 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.4 t90 -61.66 -49.13 77.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.373 -0.829 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.14 -49.06 63.47 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.045 -1.034 . . . . 0.0 110.078 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.15 -47.43 86.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 0.0 109.593 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.31 -30.46 69.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -79.29 -33.63 43.13 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.16 -0.963 . . . . 0.0 111.224 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.88 -30.14 1.41 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.685 -1.259 . . . . 0.0 112.272 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.32 15.88 14.69 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.19 154.29 2.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -1.202 . . . . 0.0 109.256 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -90.93 171.62 9.17 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.4 71.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.593 -0.692 . . . . 0.0 110.88 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -72.26 -40.23 67.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.527 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.6 mm100 -68.71 -36.4 78.4 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.309 -0.869 . . . . 0.0 110.629 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 53.8 p -68.58 -37.75 80.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.172 -0.955 . . . . 0.0 110.013 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.1 -37.29 82.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.869 -1.144 . . . . 0.0 110.095 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.17 -39.94 82.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.444 -1.41 . . . . 0.0 110.571 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.31 -40.13 77.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.781 -1.199 . . . . 0.0 110.489 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.2 -59.88 4.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.34 77.9 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.58 -49.2 61.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -1.191 . . . . 0.0 109.817 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.99 -39.96 75.6 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.612 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.84 -40.04 91.36 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.18 -0.95 . . . . 0.0 110.214 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.435 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.9 mt-10 -70.29 -37.73 74.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 110.877 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 90.7 t90 -62.33 -43.73 98.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.411 -1.431 . . . . 0.0 109.103 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' B' ' 89' ' ' LEU . 64.5 m -60.36 -39.91 88.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.822 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.07 -30.12 67.83 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.68 -33.77 13.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.151 -0.968 . . . . 0.0 110.973 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.7 m-85 -109.64 0.02 18.85 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.254 -0.903 . . . . 0.0 111.846 -177.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.497 1.912 0 O-C-N 120.9 -1.125 . . . . 0.0 109.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 120.957 0.408 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.02 -50.33 74.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.909 -1.119 . . . . 0.0 110.504 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HG2' HH11 ' A' ' 8' ' ' ARG . 32.8 mtt-85 -70.1 -34.7 73.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.92 -39.9 72.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.456 -0.777 . . . . 0.0 110.332 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 -40.0 83.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.379 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.5 m -83.77 15.96 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.03 -1.044 . . . . 0.0 109.989 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.98 -8.38 10.24 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.432 -0.793 . . . . 0.0 111.248 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.25 28.21 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.597 -1.315 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.71 161.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.044 1.829 . . . . 0.0 112.039 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.47 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.93 -22.16 21.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.189 -0.944 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.6 -142.03 12.31 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.39 29.47 5.18 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -1.05 . . . . 0.0 110.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -62.08 149.6 85.96 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 120.873 -1.142 . . . . 0.0 108.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.42 159.96 51.66 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.489 2.126 . . . . 0.0 112.898 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -55.4 -48.27 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.38 0.609 . . . . 0.0 111.154 -179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.12 -3.84 0.15 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 20' ' ' VAL . 19.3 m -83.28 -22.64 32.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.833 -1.392 . . . . 0.0 109.373 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 81' ' ' LEU . 94.5 mt -63.59 139.33 58.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 109.29 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 134.88 55.58 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.639 0.733 . . . . 0.0 110.189 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.23 -18.27 56.79 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -95.93 116.47 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.032 -1.275 . . . . 0.0 108.234 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.46 170.64 39.03 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 45.9 mp0 -57.04 -40.04 76.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.271 -1.135 . . . . 0.0 110.377 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.17 -41.35 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.836 -1.165 . . . . 0.0 109.618 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.72 -37.25 81.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.745 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.75 94.68 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.54 -39.22 92.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -1.069 . . . . 0.0 110.36 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.86 -44.56 76.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.742 -1.224 . . . . 0.0 109.943 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.0 -38.58 91.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.746 -1.221 . . . . 0.0 108.571 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.891 -0.723 . . . . 0.0 109.255 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.94 -18.82 64.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 108.716 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.51 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 7.1 51.11 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 121.063 -1.023 . . . . 0.0 112.157 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 44' ' ' VAL . 93.3 m-85 -106.57 75.52 1.07 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 119.149 1.474 . . . . 0.0 108.941 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -80.51 -9.03 59.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.524 -0.735 . . . . 0.0 111.112 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -137.63 159.87 40.77 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.997 -1.065 . . . . 0.0 109.983 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.01 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.671 . . . . 0.0 112.763 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -60.18 -19.13 52.66 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.402 -1.436 . . . . 0.0 111.244 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 39' ' ' PHE . 21.8 t -78.77 -33.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.08 -40.03 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD22 ' CE ' ' A' ' 15' ' ' MET . 58.9 tp -60.08 -38.81 83.97 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.07 79.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -59.97 -41.95 93.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.048 -1.266 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.383 -0.823 . . . . 0.0 108.839 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.34 -37.87 86.35 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.42 -26.67 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -0.904 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -90.05 13.55 14.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.025 -1.047 . . . . 0.0 110.838 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 47.67 39.89 10.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.695 -1.253 . . . . 0.0 110.717 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 59.86 19.99 8.9 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.454 -0.779 . . . . 0.0 110.134 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.6 113.31 5.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.618 -1.301 . . . . 0.0 108.301 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.47 -42.4 98.6 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.08 -39.0 75.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.469 -1.395 . . . . 0.0 110.846 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.02 -39.92 78.97 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.016 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.35 -44.47 91.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.0 -48.3 82.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 0.0 111.185 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -65.11 -37.96 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.685 -1.259 . . . . 0.0 109.494 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.28 -49.81 75.53 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.005 -1.06 . . . . 0.0 110.978 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.7 -48.04 67.67 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.138 -0.976 . . . . 0.0 110.297 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' GLY . 60.5 tttm -62.67 -47.5 83.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.945 . . . . 0.0 109.349 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.11 -31.71 71.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.742 -0.599 . . . . 0.0 109.621 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 64.3 m -79.31 -33.84 42.85 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 110.958 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -131.39 -28.3 1.89 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.641 -1.287 . . . . 0.0 112.17 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 106.77 15.19 17.43 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.48 152.61 1.84 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.273 . . . . 0.0 109.863 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -91.63 172.45 8.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.861 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.28 77.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 110.768 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 88.4 tttt -70.48 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.964 -1.085 . . . . 0.0 110.091 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.75 -37.45 82.15 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.368 -0.833 . . . . 0.0 110.658 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 p -67.58 -38.33 83.9 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.134 -0.979 . . . . 0.0 110.093 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.3 mtm180 -60.97 -38.44 85.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.831 -1.168 . . . . 0.0 110.209 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.0 -39.99 83.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.542 -1.349 . . . . 0.0 110.668 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.4 m -68.42 -40.09 81.35 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.828 -1.17 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.51 -60.03 4.45 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.452 -1.405 . . . . 0.0 109.847 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.09 85.2 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.287 -0.958 . . . . 0.0 110.964 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.83 -48.26 59.63 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.924 -1.339 . . . . 0.0 110.098 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -69.62 -39.58 77.08 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.823 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.36 -40.1 89.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.98 -39.46 75.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.148 -0.97 . . . . 0.0 111.226 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -61.98 -41.6 98.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.451 -1.406 . . . . 0.0 109.066 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.1 m -61.46 -39.97 92.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.054 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.04 -29.03 68.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.19 -35.98 14.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.073 -1.017 . . . . 0.0 111.085 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 . . . . . 0 N--CA 1.503 2.175 0 O-C-N 121.382 -0.824 . . . . 0.0 111.817 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.88 0.371 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' HIS . . . . . 0.42 ' O ' HG22 ' B' ' 11' ' ' VAL . 79.0 t60 -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.915 -1.115 . . . . 0.0 110.484 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' B' ' 8' ' ' ARG . 33.0 mtt-85 -70.02 -34.41 73.25 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.126 -0.984 . . . . 0.0 109.978 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.97 -39.97 72.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.88 -39.98 83.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.909 . . . . 0.0 110.37 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 7' ' ' HIS . 19.5 m -83.83 15.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.077 -1.014 . . . . 0.0 110.004 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.01 -8.28 10.25 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.33 -0.856 . . . . 0.0 111.21 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.33 28.36 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.555 -1.341 . . . . 0.0 110.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.76 161.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.994 1.796 . . . . 0.0 112.079 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.474 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.05 21.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.224 -0.922 . . . . 0.0 109.635 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.35 -141.9 11.44 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.31 29.45 5.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.399 -1.059 . . . . 0.0 110.747 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -62.1 149.4 86.61 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 108.885 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.33 159.98 51.6 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.471 2.114 . . . . 0.0 112.862 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.0 p -55.38 -48.3 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.682 -0.636 . . . . 0.0 111.07 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . 0.544 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.11 -3.85 0.15 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' VAL . 19.3 m -83.23 -22.81 33.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.825 -1.397 . . . . 0.0 109.342 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.51 139.27 58.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.94 . . . . 0.0 109.352 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.27 134.77 55.36 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.701 0.763 . . . . 0.0 110.21 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 -17.98 57.08 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.24 116.44 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.049 -1.265 . . . . 0.0 108.225 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.44 170.51 38.9 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 45.8 mp0 -57.1 -39.9 75.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -1.094 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.3 -41.43 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.854 -1.154 . . . . 0.0 109.677 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.43 -37.43 83.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.813 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.55 94.45 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.64 -39.09 92.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.409 -1.053 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.82 -44.72 76.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.696 -1.252 . . . . 0.0 109.948 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.95 -38.73 92.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.91 -1.119 . . . . 0.0 108.536 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -40.0 86.94 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.317 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.99 -18.82 64.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.52 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.536 -0.728 . . . . 0.0 109.78 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.99 6.99 51.27 Favored Glycine 0 N--CA 1.502 3.054 0 O-C-N 121.016 -1.052 . . . . 0.0 112.158 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' B' ' 44' ' ' VAL . 93.1 m-85 -106.6 75.56 1.07 Allowed 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 119.219 1.509 . . . . 0.0 108.898 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -80.41 -8.98 59.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.603 -0.685 . . . . 0.0 111.083 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -137.56 159.85 40.81 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.038 -1.039 . . . . 0.0 110.026 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.0 91.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.654 -0.654 . . . . 0.0 112.647 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.09 -19.31 52.65 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.251 -1.531 . . . . 0.0 111.185 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' B' ' 39' ' ' PHE . 21.7 t -78.62 -33.28 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.434 -1.416 . . . . 0.0 107.279 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.96 -40.0 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.474 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.04 -38.75 83.65 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.82 81.52 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.138 -1.213 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.87 -40.1 87.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.378 -0.826 . . . . 0.0 108.951 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.31 -37.75 86.12 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.5 -26.72 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.196 -0.94 . . . . 0.0 110.228 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.07 13.78 14.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.08 -1.012 . . . . 0.0 110.784 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 47.48 39.96 10.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.701 -1.249 . . . . 0.0 110.606 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 59.88 19.93 8.88 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.416 -0.802 . . . . 0.0 110.204 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.69 113.73 6.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.464 -1.398 . . . . 0.0 108.24 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.77 -42.51 97.76 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.99 -38.91 76.14 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.532 -1.355 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.0 -39.96 79.0 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.961 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.44 -44.37 91.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.971 -1.081 . . . . 0.0 109.745 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 111.056 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.7 OUTLIER -65.0 -37.95 89.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.668 -1.27 . . . . 0.0 109.562 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 62' ' ' TRP . . . . . 0.417 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.15 -49.85 75.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.03 -1.044 . . . . 0.0 110.954 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.78 -48.08 67.36 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.316 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' GLY . 60.6 tttm -62.6 -47.53 83.39 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.03 -31.97 72.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.724 -0.61 . . . . 0.0 109.572 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 65.0 m -78.96 -33.76 44.95 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.331 -0.855 . . . . 0.0 111.009 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -131.56 -28.48 1.84 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.631 -1.293 . . . . 0.0 112.177 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 106.92 15.3 16.84 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.36 152.8 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.091 -1.24 . . . . 0.0 109.842 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.78 172.75 8.26 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.197 -0.939 . . . . 0.0 109.953 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.24 77.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.79 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.453 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 88.5 tttt -70.63 -41.37 72.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.952 -1.093 . . . . 0.0 110.1 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.68 -37.49 82.42 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.359 -0.838 . . . . 0.0 110.609 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 10.1 p -67.53 -38.29 83.99 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.126 -0.984 . . . . 0.0 110.124 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.3 mtm180 -61.11 -38.34 85.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.851 -1.155 . . . . 0.0 110.209 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.02 83.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.674 -1.266 . . . . 0.0 110.73 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.54 -40.02 80.87 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -58.48 -59.93 4.59 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.588 -1.32 . . . . 0.0 109.897 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.12 85.46 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.82 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.69 -48.39 59.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.89 -1.359 . . . . 0.0 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.71 -39.38 76.91 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.773 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.51 -40.11 90.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.98 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 111.217 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TRP . . . . . 0.608 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.7 t90 -62.09 -41.47 98.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.481 -1.387 . . . . 0.0 109.099 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 89' ' ' LEU . 67.1 m -61.52 -39.92 92.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.108 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.97 -29.22 68.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.22 -35.92 14.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.037 -1.04 . . . . 0.0 111.076 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.608 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.1 m-85 -112.11 0.76 16.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.286 -0.884 . . . . 0.0 111.843 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 85' ' ' CYS . 47.7 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 120.612 -1.305 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.365 0.602 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -92.29 5.2 51.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.402 -0.811 . . . . 0.0 109.455 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -70.04 159.88 33.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.108 -0.995 . . . . 0.0 109.919 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.0 m -69.57 154.33 42.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.49 -22.0 29.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.745 -0.597 . . . . 0.0 109.822 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.88 -37.04 83.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.525 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 63.7 t60 -57.57 -48.89 78.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 110.024 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -70.07 -33.58 72.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.235 -0.915 . . . . 0.0 110.38 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.93 -38.71 69.79 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -67.44 -40.05 85.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.161 -0.962 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.7 m -84.6 15.48 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 0.0 109.938 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.16 -7.14 10.36 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.423 -0.798 . . . . 0.0 110.711 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -154.08 152.81 27.41 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 120.807 -1.183 . . . . 0.0 109.521 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.99 157.83 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.916 1.744 . . . . 0.0 111.614 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.681 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.7 ptp -91.49 -20.14 22.06 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.103 -0.998 . . . . 0.0 109.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.48 -138.12 18.76 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.29 30.04 6.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.464 -1.021 . . . . 0.0 110.862 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.59 150.29 75.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.79 -1.194 . . . . 0.0 108.658 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -63.73 152.93 78.27 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.286 1.991 . . . . 0.0 112.773 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -52.95 -46.65 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.5 0.667 . . . . 0.0 110.39 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.56 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.89 -1.73 0.27 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.6 t -82.62 -23.61 34.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.319 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.29 139.85 58.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.401 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.24 57.28 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.616 0.722 . . . . 0.0 109.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 -20.2 49.37 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.21 120.26 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.062 -1.258 . . . . 0.0 108.251 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -90.48 175.22 40.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.85 -40.03 79.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.424 -1.045 . . . . 0.0 110.459 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.11 -45.37 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.058 -1.026 . . . . 0.0 109.717 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD12 ' H ' ' A' ' 27' ' ' GLY . 67.8 mt -65.46 -36.11 82.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.442 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.36 95.65 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.3 -39.95 94.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.305 -1.115 . . . . 0.0 111.231 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.85 -44.61 84.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.642 -1.286 . . . . 0.0 109.609 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.93 -39.54 92.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.94 . . . . 0.0 109.452 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -39.99 87.48 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.291 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.73 -19.73 65.17 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.276 -0.89 . . . . 0.0 108.93 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HG2' HH11 ' A' ' 37' ' ' ARG . 48.1 mtt-85 -90.32 2.25 55.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.571 -0.706 . . . . 0.0 110.901 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.04 4.47 44.77 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.965 -1.084 . . . . 0.0 111.791 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.05 73.51 1.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.927 -1.337 . . . . 0.0 108.207 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.57 -12.56 58.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.56 -0.713 . . . . 0.0 110.167 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.3 150.96 50.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.433 -0.792 . . . . 0.0 109.17 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.02 94.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 111.422 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -58.46 -19.34 36.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.691 -1.256 . . . . 0.0 111.563 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.04 -31.74 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.416 -1.427 . . . . 0.0 107.529 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -77.4 -34.14 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.681 HD22 ' CE ' ' A' ' 15' ' ' MET . 31.2 tp -60.03 -39.1 84.73 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.58 -40.97 97.05 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -40.32 88.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.369 . . . . 0.0 108.974 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.89 -39.51 83.62 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.64 -29.18 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.302 -0.874 . . . . 0.0 110.549 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.96 15.78 9.4 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.41 35.05 5.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.767 -1.208 . . . . 0.0 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 60.99 20.0 10.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.745 -0.597 . . . . 0.0 111.568 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -67.34 118.34 10.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.273 -1.517 . . . . 0.0 108.128 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.28 -40.65 96.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.423 -0.798 . . . . 0.0 112.902 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.541 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 92.0 m-20 -69.91 -40.2 75.74 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.655 -1.278 . . . . 0.0 110.4 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.57 -39.99 73.59 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.78 -49.31 71.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.44 -0.787 . . . . 0.0 110.352 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.541 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.7 mtm180 -61.19 -43.88 98.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.0 -1.063 . . . . 0.0 110.9 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.03 -34.02 77.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.63 -1.294 . . . . 0.0 108.956 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.41 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.67 -48.19 81.95 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 110.501 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.53 -50.33 52.8 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.55 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.25 -48.39 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.16 -0.963 . . . . 0.0 110.066 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -69.41 -26.83 64.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.587 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.3 m -80.16 -33.23 38.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 111.242 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -133.01 -25.22 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.556 -1.34 . . . . 0.0 112.411 -177.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.85 14.21 23.64 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.48 152.73 2.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 109.476 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.7 169.07 12.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.019 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.7 70.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.492 -0.755 . . . . 0.0 110.556 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -40.03 67.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.975 -1.078 . . . . 0.0 109.295 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.64 -37.07 84.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.559 -0.713 . . . . 0.0 110.505 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.162 -0.961 . . . . 0.0 109.786 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -61.14 -37.88 84.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.012 -1.055 . . . . 0.0 110.278 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.57 -39.99 80.76 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.495 -1.378 . . . . 0.0 110.738 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.95 -40.04 79.19 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.856 -1.153 . . . . 0.0 110.008 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.36 -59.36 5.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.605 -1.309 . . . . 0.0 110.076 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.93 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.66 -48.14 67.52 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.057 -1.261 . . . . 0.0 109.13 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.04 -40.01 75.38 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.495 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -63.56 -40.71 97.68 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.036 -1.04 . . . . 0.0 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.525 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.5 mt-10 -69.85 -38.74 76.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.05 -1.031 . . . . 0.0 110.141 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.4 t90 -60.7 -44.6 96.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.668 -1.27 . . . . 0.0 108.655 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.75 -40.04 90.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.286 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.23 -32.57 70.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.79 17.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.198 -0.938 . . . . 0.0 110.486 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.0 m-85 -106.43 -86.19 0.49 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.72 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.312 0.577 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -92.15 5.09 51.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.4 p -69.94 159.98 32.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 110.045 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.4 m -69.58 154.28 42.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -0.807 . . . . 0.0 109.21 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.45 -22.02 29.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.688 -0.632 . . . . 0.0 109.758 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.77 -37.14 83.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.035 -1.041 . . . . 0.0 109.728 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.511 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 63.5 t60 -57.55 -48.94 77.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.979 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -70.03 -33.56 72.13 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.97 -38.43 69.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.78 -40.0 84.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 110.219 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.34 15.1 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.952 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.92 -7.09 10.48 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.435 -0.79 . . . . 0.0 110.747 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -154.13 152.81 27.33 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.736 -1.227 . . . . 0.0 109.479 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -42.1 157.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.839 1.693 . . . . 0.0 111.611 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.665 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.3 ptp -91.52 -20.36 21.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.104 -0.998 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.03 -137.99 22.03 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.55 29.9 6.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.54 -0.976 . . . . 0.0 110.823 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.44 150.1 74.85 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 120.848 -1.157 . . . . 0.0 108.629 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -63.57 152.96 77.79 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.296 1.997 . . . . 0.0 112.873 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.557 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.6 p -52.99 -46.62 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-O 121.528 0.68 . . . . 0.0 110.396 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.557 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.89 -2.04 0.31 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.3 t -82.27 -23.65 35.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.946 -1.326 . . . . 0.0 109.128 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.34 139.87 58.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.407 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 136.52 57.55 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.652 0.739 . . . . 0.0 109.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.17 -20.25 49.58 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -99.14 120.15 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.083 -1.245 . . . . 0.0 108.33 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.506 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -90.39 175.35 40.87 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.92 -39.99 79.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.521 -0.988 . . . . 0.0 110.423 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.25 -45.19 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.96 -1.088 . . . . 0.0 109.756 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.506 HD12 ' H ' ' B' ' 27' ' ' GLY . 68.3 mt -65.61 -36.04 82.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.376 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.57 95.89 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.286 -1.126 . . . . 0.0 111.138 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.88 -44.57 84.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.612 -1.305 . . . . 0.0 109.658 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.04 -39.5 92.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 109.395 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.98 -40.0 87.65 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.176 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.59 -19.73 65.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.982 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' B' ' 37' ' ' ARG . 48.1 mtt-85 -90.34 1.89 56.1 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.383 -0.823 . . . . 0.0 110.83 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.4 4.41 43.66 Favored Glycine 0 N--CA 1.504 3.174 0 O-C-N 121.079 -1.013 . . . . 0.0 111.806 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.82 73.28 1.16 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.859 -1.377 . . . . 0.0 108.242 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -81.3 -12.81 58.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.524 -0.735 . . . . 0.0 110.045 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.11 150.84 50.34 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.469 -0.769 . . . . 0.0 109.252 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.01 94.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 111.449 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -58.4 -19.05 32.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.727 -1.233 . . . . 0.0 111.543 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.6 t -78.25 -31.8 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.423 -1.423 . . . . 0.0 107.552 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.38 -34.13 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.665 HD22 ' CE ' ' B' ' 15' ' ' MET . 31.1 tp -59.97 -38.84 83.67 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.68 97.24 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.04 -40.39 89.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.949 -1.324 . . . . 0.0 108.935 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -39.19 83.03 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.83 -29.47 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.362 -0.836 . . . . 0.0 110.472 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.63 15.44 9.52 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.028 . . . . 0.0 110.412 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.79 34.99 5.76 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.789 -1.194 . . . . 0.0 110.04 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 60.89 20.39 10.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.684 -0.635 . . . . 0.0 111.617 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -67.71 118.23 10.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.333 -1.479 . . . . 0.0 108.079 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -64.35 -40.29 95.57 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.39 -0.819 . . . . 0.0 112.925 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.553 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 91.9 m-20 -70.02 -40.29 75.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.627 -1.296 . . . . 0.0 110.46 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.59 -40.01 73.5 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.6 -49.44 71.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.553 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -61.26 -43.41 98.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.049 -1.032 . . . . 0.0 111.043 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.3 -34.18 77.73 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.581 -1.325 . . . . 0.0 108.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.4 -48.48 81.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.34 -50.29 54.29 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 110.538 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -60.18 -48.62 80.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 110.123 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.28 -26.82 64.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 109.607 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -80.12 -33.44 38.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 111.168 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -132.96 -24.88 1.87 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.65 -1.281 . . . . 0.0 112.535 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.63 13.95 24.72 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 152.64 2.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.167 -1.196 . . . . 0.0 109.416 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -87.67 168.88 12.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.939 -1.101 . . . . 0.0 109.963 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -31.85 70.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.528 -0.733 . . . . 0.0 110.568 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -39.96 67.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -66.47 -37.36 84.96 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.508 -0.745 . . . . 0.0 110.486 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.13 -38.58 88.5 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.17 -0.956 . . . . 0.0 109.784 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -60.82 -38.09 84.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.986 -1.071 . . . . 0.0 110.244 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.39 -40.01 81.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.557 -1.339 . . . . 0.0 110.687 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -69.01 -39.98 78.97 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.837 -1.164 . . . . 0.0 110.088 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.33 -59.56 5.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.67 -1.269 . . . . 0.0 110.069 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.19 78.2 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.65 -48.14 67.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.948 -1.325 . . . . 0.0 109.171 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.08 -40.09 75.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 109.467 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -63.45 -40.75 97.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.963 -1.086 . . . . 0.0 110.341 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.511 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.4 mt-10 -69.74 -38.86 77.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.987 -1.07 . . . . 0.0 110.182 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.594 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -60.5 -44.86 95.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.676 -1.265 . . . . 0.0 108.65 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.58 -40.07 90.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.58 -0.7 . . . . 0.0 109.314 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.18 -32.72 70.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.427 -0.796 . . . . 0.0 109.596 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.38 -35.65 18.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.181 -0.95 . . . . 0.0 110.499 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.594 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.8 m-85 -106.54 -86.09 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.304 -0.873 . . . . 0.0 110.226 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 120.955 -1.09 . . . . 0.0 108.722 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.7 m -80.59 134.89 35.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -75.59 160.14 30.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -0.815 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.5 p -70.01 160.06 32.65 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 27.6 mp0 -60.65 -24.54 65.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.701 -0.625 . . . . 0.0 110.547 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.61 -37.72 84.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.837 -1.164 . . . . 0.0 110.102 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.68 -50.43 73.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.999 -1.063 . . . . 0.0 110.464 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -32.81 71.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.044 -1.035 . . . . 0.0 110.104 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.23 -36.99 69.26 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.449 -0.782 . . . . 0.0 110.098 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.89 -40.87 78.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.589 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.38 16.51 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.081 -1.012 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.36 -4.67 9.39 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.08 150.69 28.01 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 120.885 -1.134 . . . . 0.0 109.807 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.53 164.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.185 1.924 . . . . 0.0 111.984 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.44 ' HE2' ' HB3' ' A' ' 15' ' ' MET . 13.6 ptp -91.44 -19.16 23.15 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.033 -1.042 . . . . 0.0 109.773 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.49 -141.58 5.8 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.01 26.1 10.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.496 -1.002 . . . . 0.0 110.069 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.34 150.15 80.93 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 120.92 -1.113 . . . . 0.0 108.18 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -62.32 153.28 71.41 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.59 2.193 . . . . 0.0 113.027 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 21' ' ' GLY . 8.1 p -53.97 -46.16 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-O 121.517 0.675 . . . . 0.0 110.244 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.97 -2.49 0.37 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . 78.8 p -81.14 -24.45 37.62 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.914 -1.344 . . . . 0.0 109.093 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.38 138.38 58.43 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.791 0.805 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -65.31 134.91 54.6 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.424 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.544 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.9 -17.5 56.22 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -100.1 118.9 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 174.07 35.24 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.21 -39.98 84.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -1.013 . . . . 0.0 110.314 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.1 t -69.25 -44.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.821 -1.175 . . . . 0.0 109.198 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.23 -39.88 86.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.1 96.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.24 -39.26 92.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.245 -1.15 . . . . 0.0 110.968 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.01 -41.58 90.82 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.603 -1.31 . . . . 0.0 110.298 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.98 -40.02 91.83 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.068 -1.02 . . . . 0.0 109.483 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.8 -40.1 91.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.846 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.53 -20.02 63.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -88.68 -0.06 56.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 109.872 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.96 38.67 3.54 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.76 72.08 1.48 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -79.48 -15.04 58.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.427 -0.796 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 67.5 mmtt -131.74 152.26 51.05 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.047 -1.033 . . . . 0.0 110.03 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.581 -0.699 . . . . 0.0 111.748 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 26.9 p90 -58.75 -18.59 32.95 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.731 -1.23 . . . . 0.0 111.357 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.61 -31.32 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.59 -1.318 . . . . 0.0 107.932 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.26 -34.71 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 15' ' ' MET . 40.5 tp -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.46 98.2 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -60.31 -43.51 96.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.059 -1.259 . . . . 0.0 109.022 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 50' ' ' LEU . 92.8 mt -68.4 -37.66 80.55 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.83 -29.41 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.45 14.28 10.06 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.155 -0.966 . . . . 0.0 110.516 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 48.16 36.61 6.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.644 -1.285 . . . . 0.0 109.989 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 mttm 60.25 20.48 9.91 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.628 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.65 112.59 4.85 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.613 -1.305 . . . . 0.0 108.394 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -41.9 97.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.415 -0.803 . . . . 0.0 113.15 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.7 m-20 -68.88 -39.92 79.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.528 -1.357 . . . . 0.0 110.473 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.12 -38.73 75.65 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.063 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.52 -48.95 75.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.368 -0.832 . . . . 0.0 109.847 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 78.7 mtm180 -59.96 -47.01 87.57 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.177 -0.952 . . . . 0.0 111.093 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.78 -38.06 89.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.867 -1.145 . . . . 0.0 108.748 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.16 -48.63 77.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.572 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.14 -47.61 64.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.962 -1.086 . . . . 0.0 111.147 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -62.03 -47.45 84.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.934 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 28.0 t0 -68.34 -28.21 66.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.574 -0.704 . . . . 0.0 109.629 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 m -79.31 -34.55 42.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.221 -0.924 . . . . 0.0 111.296 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -132.42 -31.34 1.41 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.482 -1.386 . . . . 0.0 112.221 -177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.3 15.64 11.27 Favored Glycine 0 N--CA 1.502 3.077 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.05 152.87 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.12 -1.223 . . . . 0.0 109.749 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.57 172.12 8.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.11 -0.994 . . . . 0.0 110.151 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.49 75.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.533 -0.729 . . . . 0.0 111.464 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -71.98 -39.99 68.89 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.592 -1.317 . . . . 0.0 110.041 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.7 mm100 -66.55 -38.2 86.6 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.518 -0.739 . . . . 0.0 110.293 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -66.8 -37.19 84.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.966 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -60.03 -39.3 85.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.88 -1.138 . . . . 0.0 109.58 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.16 -40.0 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.828 -1.17 . . . . 0.0 110.807 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -67.83 -39.94 83.82 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.958 -1.089 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.92 -60.9 3.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.842 -1.161 . . . . 0.0 110.325 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.93 83.93 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 48.1 t -68.81 -49.07 61.57 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.136 -1.214 . . . . 0.0 109.712 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.95 -40.07 75.66 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.227 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.31 -40.02 92.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -0.978 . . . . 0.0 109.511 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.87 -39.43 76.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -0.965 . . . . 0.0 110.867 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.4 t90 -60.9 -43.05 99.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.558 -1.339 . . . . 0.0 108.631 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.482 -0.761 . . . . 0.0 109.549 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.25 -32.21 69.79 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.435 -0.791 . . . . 0.0 110.265 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -34.43 19.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.137 -0.977 . . . . 0.0 110.386 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.6 m-85 -107.51 -87.27 0.49 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.316 -0.865 . . . . 0.0 110.896 -178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.567 -179.402 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 42.6 m -80.55 134.84 35.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.1 p -75.51 160.11 30.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.896 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 81.5 p -70.02 159.94 32.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.43 -0.794 . . . . 0.0 109.249 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.474 ' H ' ' CD ' ' B' ' 5' ' ' GLN . 27.5 mp0 -60.5 -24.56 65.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.63 -0.669 . . . . 0.0 110.656 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.61 -37.72 84.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.914 -1.117 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.59 -50.48 73.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.045 -1.034 . . . . 0.0 110.441 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.09 -32.71 70.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.968 . . . . 0.0 110.102 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -72.32 -37.13 69.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.71 -40.84 79.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.66 16.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.001 . . . . 0.0 109.923 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.6 -4.77 9.26 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.653 -0.654 . . . . 0.0 110.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.02 150.57 27.83 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.916 -1.115 . . . . 0.0 109.853 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -44.5 164.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.042 1.828 . . . . 0.0 112.038 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.489 ' HE2' ' HB3' ' B' ' 15' ' ' MET . 13.6 ptp -91.41 -19.0 23.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -0.99 . . . . 0.0 109.815 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.36 -141.75 5.54 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -106.77 26.02 10.53 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.965 . . . . 0.0 110.111 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -61.33 150.18 80.76 Favored Pre-proline 0 C--N 1.303 -1.43 0 O-C-N 121.015 -1.053 . . . . 0.0 108.249 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -62.22 153.33 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.598 2.199 . . . . 0.0 113.045 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.563 HG13 ' N ' ' B' ' 21' ' ' GLY . 8.0 p -54.08 -46.09 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.456 0.645 . . . . 0.0 110.204 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.563 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.1 -2.28 0.37 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' B' ' 20' ' ' VAL . 79.3 p -81.32 -24.47 37.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.033 -1.275 . . . . 0.0 109.069 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.34 138.21 58.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.703 0.763 . . . . 0.0 109.83 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -65.33 134.81 54.38 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.859 -0.737 . . . . 0.0 109.578 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.54 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.87 -17.22 56.66 Favored Glycine 0 N--CA 1.498 2.803 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -100.21 118.9 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 174.05 35.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.27 -39.95 84.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.428 -1.042 . . . . 0.0 110.222 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.17 -45.05 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -39.98 87.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -0.876 . . . . 0.0 109.089 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.99 96.43 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.12 -39.59 93.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.155 -1.203 . . . . 0.0 110.924 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.84 -41.55 91.59 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.231 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.022 -1.049 . . . . 0.0 109.467 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.84 -40.01 91.25 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.861 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.54 -20.16 63.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.194 -0.941 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -88.68 0.0 56.86 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.613 -0.679 . . . . 0.0 109.91 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.98 38.64 3.54 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.88 72.19 1.49 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -79.66 -15.09 58.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.476 -0.765 . . . . 0.0 110.537 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 67.2 mmtt -131.68 152.36 50.93 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.155 -0.965 . . . . 0.0 109.98 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.18 99.0 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.58 -0.7 . . . . 0.0 111.785 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.402 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 27.0 p90 -58.94 -18.72 36.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.726 -1.234 . . . . 0.0 111.28 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.55 -31.22 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.505 -1.372 . . . . 0.0 107.919 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.3 -34.69 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' B' ' 15' ' ' MET . 41.2 tp -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.67 98.12 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 tp-100 -60.03 -43.69 95.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.104 -1.233 . . . . 0.0 108.9 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.37 -37.92 80.91 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.67 -29.31 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.347 -0.846 . . . . 0.0 110.197 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.62 14.59 9.67 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.036 -1.04 . . . . 0.0 110.477 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 47.92 36.77 6.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.626 -1.296 . . . . 0.0 110.046 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 60.16 20.36 9.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.58 -0.7 . . . . 0.0 110.651 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.54 112.72 4.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.679 -1.263 . . . . 0.0 108.353 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -42.1 97.59 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 113.057 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.7 m-20 -68.69 -39.96 80.3 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.643 -1.286 . . . . 0.0 110.432 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.16 -38.47 75.46 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.099 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.75 -48.87 75.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.0 109.811 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 78.8 mtm180 -59.97 -47.27 86.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.198 -0.939 . . . . 0.0 110.995 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.67 -37.97 88.52 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.93 -1.106 . . . . 0.0 108.709 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -63.25 -48.53 77.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 111.582 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -69.16 -47.85 63.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.947 -1.095 . . . . 0.0 111.011 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.86 -47.54 84.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.035 -1.041 . . . . 0.0 109.945 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 28.5 t0 -68.15 -28.25 67.14 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.617 -0.677 . . . . 0.0 109.703 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m -79.29 -34.58 42.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 111.304 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.41 -31.4 1.41 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.598 -1.314 . . . . 0.0 112.236 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 15.9 11.05 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.24 152.87 3.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.089 -1.242 . . . . 0.0 109.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.53 172.1 8.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.176 -0.952 . . . . 0.0 110.127 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.3 75.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 111.407 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -72.04 -40.1 68.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.515 -1.366 . . . . 0.0 109.995 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.7 mm100 -66.65 -37.93 85.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 110.374 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -67.0 -37.04 83.49 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.924 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.099 . . . . 0.0 109.579 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.37 -39.97 85.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.811 -1.18 . . . . 0.0 110.801 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.81 -39.92 83.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.778 -1.201 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.92 -60.75 3.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.733 -1.229 . . . . 0.0 110.335 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -32.84 83.96 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 48.7 t -68.9 -48.98 62.01 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.306 . . . . 0.0 109.766 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.06 -39.86 75.4 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.29 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.38 -39.94 92.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.134 -0.979 . . . . 0.0 109.522 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.02 -39.42 75.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.169 -0.957 . . . . 0.0 110.817 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.3 t90 -60.98 -42.91 99.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.508 -1.37 . . . . 0.0 108.665 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.408 -0.808 . . . . 0.0 109.493 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.29 -32.11 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.491 -0.756 . . . . 0.0 110.252 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.76 -34.49 19.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.135 -0.978 . . . . 0.0 110.366 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.6 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.5 m-85 -107.42 -87.59 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.313 -0.867 . . . . 0.0 110.846 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.62 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -89.0 142.84 27.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.074 -1.016 . . . . 0.0 109.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.5 p -78.99 155.7 28.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.013 . . . . 0.0 109.332 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p -79.05 162.95 25.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.305 -0.872 . . . . 0.0 109.226 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 28.0 mp0 -60.03 -24.99 64.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.632 -0.668 . . . . 0.0 110.477 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -61.73 -37.25 83.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.959 -1.088 . . . . 0.0 109.925 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.9 t60 -60.07 -50.95 71.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.156 -0.965 . . . . 0.0 110.502 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -69.93 -33.47 72.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 110.248 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.28 -39.25 75.01 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.614 -0.678 . . . . 0.0 110.24 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -68.62 -39.94 80.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 110.939 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 7' ' ' HIS . 32.9 m -86.15 14.8 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.029 -1.044 . . . . 0.0 110.685 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.25 -7.2 11.26 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.28 -0.887 . . . . 0.0 110.558 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.22 152.64 23.73 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.902 -1.124 . . . . 0.0 109.311 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -41.86 160.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.994 1.796 . . . . 0.0 112.505 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.527 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.5 ptp -91.4 -18.92 23.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.893 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -138.66 15.21 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.1 30.01 6.58 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.4 -1.059 . . . . 0.0 110.733 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -60.59 149.6 77.87 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 120.679 -1.263 . . . . 0.0 108.938 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.92 153.15 75.11 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.49 2.126 . . . . 0.0 112.89 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' A' ' 22' ' ' SER . 1.7 p -54.11 -41.88 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.07 -3.63 1.35 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 20' ' ' VAL . 22.8 m -82.17 -20.44 37.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.989 -1.301 . . . . 0.0 109.032 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD21 ' A' ' 81' ' ' LEU . 93.3 mt -64.78 138.88 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.145 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.56 136.12 57.32 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.319 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.64 -20.0 50.03 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -98.3 117.08 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.254 . . . . 0.0 108.212 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.57 176.5 38.29 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.424 -1.471 . . . . 0.0 109.424 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 46.8 mp0 -59.03 -40.14 84.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.243 -1.151 . . . . 0.0 110.439 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.48 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.72 -1.238 . . . . 0.0 109.322 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.61 -39.4 88.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.828 . . . . 0.0 109.408 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.93 96.3 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.8 -39.91 93.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -1.053 . . . . 0.0 110.479 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.03 -43.7 78.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.774 -1.204 . . . . 0.0 109.655 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.85 -39.97 91.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 108.53 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.03 -40.86 90.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.165 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.25 64.44 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -89.68 0.24 57.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.604 -0.685 . . . . 0.0 109.809 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.38 4.63 40.59 Favored Glycine 0 N--CA 1.505 3.243 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.149 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.37 75.55 1.25 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.797 -1.414 . . . . 0.0 109.546 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -83.5 -13.84 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.323 -0.86 . . . . 0.0 110.517 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.94 150.79 50.23 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.02 94.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 111.867 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.93 -19.74 53.48 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.521 -1.362 . . . . 0.0 111.275 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.4 -31.36 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.1 t -74.96 -39.92 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD22 ' CE ' ' A' ' 15' ' ' MET . 59.6 tp -59.84 -38.56 82.42 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.17 86.34 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.1 -45.71 92.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.196 -1.179 . . . . 0.0 109.545 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.419 -0.8 . . . . 0.0 109.049 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.74 -39.13 80.49 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.84 -26.88 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -87.96 13.01 11.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.184 -0.947 . . . . 0.0 110.316 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.66 38.99 12.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.765 -1.209 . . . . 0.0 110.437 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 59.99 20.08 9.16 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 110.587 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.73 106.94 2.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.394 -1.442 . . . . 0.0 108.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 60' ' ' ARG . 34.0 tt0 -64.51 -40.03 94.89 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.26 -0.9 . . . . 0.0 112.525 -178.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.599 -1.313 . . . . 0.0 109.602 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.95 -39.3 76.13 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.238 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.23 -49.49 71.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.479 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 56' ' ' GLU . 99.1 mtt180 -60.01 -47.38 86.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.41 -0.806 . . . . 0.0 110.586 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.65 -36.53 84.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.88 -1.137 . . . . 0.0 109.329 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -67.07 -43.56 82.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.684 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.9 -49.38 58.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 110.864 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -61.56 -46.82 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.85 -27.07 65.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.825 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.6 m -80.26 -34.69 36.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 111.426 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -131.72 -29.89 1.68 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.548 -1.345 . . . . 0.0 112.381 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.07 14.45 24.54 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 155.22 3.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -1.176 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -88.32 169.2 12.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.18 70.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.524 -0.735 . . . . 0.0 111.309 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.46 -40.44 70.33 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.583 -1.323 . . . . 0.0 110.056 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -66.67 -39.6 88.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.419 -0.8 . . . . 0.0 110.127 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.4 m -65.01 -39.81 93.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.817 . . . . 0.0 110.65 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -60.09 -36.75 78.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.722 -1.236 . . . . 0.0 109.721 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.88 -39.68 83.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.586 -1.321 . . . . 0.0 110.787 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.12 -39.9 82.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.805 -1.184 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.67 -60.91 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.725 -1.234 . . . . 0.0 110.05 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.51 -32.04 81.76 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.87 -49.62 56.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.852 -1.381 . . . . 0.0 109.645 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 23' ' ' LEU . 91.1 mt -70.05 -40.04 75.35 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.314 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.24 -40.7 95.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.004 -1.06 . . . . 0.0 110.172 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.09 -37.3 75.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.435 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.3 t90 -59.99 -45.33 93.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.739 -1.225 . . . . 0.0 108.308 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.54 -40.05 93.27 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.96 -33.59 72.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.39 -0.819 . . . . 0.0 109.558 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.47 -37.08 20.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.854 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.0 m-85 -104.07 -84.65 0.48 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.36 -0.837 . . . . 0.0 110.519 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.413 -179.517 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.9 ttt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 31.5 p -89.2 142.77 27.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.7 p -78.78 155.56 29.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.38 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -79.1 163.13 25.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.909 . . . . 0.0 109.155 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' B' ' 5' ' ' GLN . 28.0 mp0 -60.2 -24.91 65.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.604 -0.685 . . . . 0.0 110.464 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -61.91 -37.34 84.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.972 -1.08 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.426 ' O ' HG22 ' B' ' 11' ' ' VAL . 68.9 t60 -59.94 -50.96 71.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.928 . . . . 0.0 110.471 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -70.08 -33.25 71.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -70.48 -39.06 74.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 110.226 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.7 -40.13 80.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.925 . . . . 0.0 110.818 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 7' ' ' HIS . 32.9 m -85.87 14.7 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 110.699 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.24 -7.23 11.26 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.233 -0.917 . . . . 0.0 110.602 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.12 152.82 24.27 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.834 -1.166 . . . . 0.0 109.238 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -41.86 159.9 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.107 1.871 . . . . 0.0 112.474 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.54 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.5 ptp -91.33 -19.01 23.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.265 -0.897 . . . . 0.0 109.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.16 -138.69 15.63 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.18 30.01 6.59 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -1.027 . . . . 0.0 110.732 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.83 149.51 80.1 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.817 -1.177 . . . . 0.0 108.899 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.8 153.17 74.43 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.458 2.105 . . . . 0.0 113.001 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' B' ' 22' ' ' SER . 1.8 p -54.12 -41.94 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.548 -0.72 . . . . 0.0 110.051 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.95 -3.76 1.35 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.6 m -82.07 -20.13 38.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.859 -1.377 . . . . 0.0 109.118 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.541 HD22 HD21 ' B' ' 81' ' ' LEU . 93.4 mt -64.97 138.86 58.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.113 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 136.28 57.42 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.266 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.55 -20.06 49.91 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.7 mm -98.22 116.98 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.098 -1.237 . . . . 0.0 108.268 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.52 176.5 38.36 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 46.7 mp0 -59.1 -40.02 84.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -1.136 . . . . 0.0 110.512 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.21 -45.55 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 109.299 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.6 -39.45 88.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -0.81 . . . . 0.0 109.432 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.85 96.29 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -1.084 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -67.89 -43.75 78.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.779 -1.201 . . . . 0.0 109.648 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.06 -39.87 91.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.162 -0.961 . . . . 0.0 108.506 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.06 -40.76 90.59 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.198 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.11 64.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 108.952 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.74 0.15 57.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.573 -0.704 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 4.56 40.56 Favored Glycine 0 N--CA 1.504 3.222 0 O-C-N 121.205 -0.935 . . . . 0.0 112.132 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.13 75.55 1.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.669 -1.489 . . . . 0.0 109.59 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -83.37 -13.92 53.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.272 -0.892 . . . . 0.0 110.43 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.84 150.8 50.18 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.267 -0.895 . . . . 0.0 108.991 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.9 94.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.382 -0.824 . . . . 0.0 111.756 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -59.98 -19.85 54.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.56 -1.337 . . . . 0.0 111.405 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -77.95 -31.66 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.4 t -74.92 -39.88 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.0 -38.54 82.9 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.02 -42.11 86.37 Favored Glycine 0 N--CA 1.483 1.805 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.07 -45.64 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.12 -1.224 . . . . 0.0 109.618 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.92 -40.14 87.82 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.406 -0.809 . . . . 0.0 109.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.68 -39.21 80.69 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.85 -26.76 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 110.139 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -87.94 12.99 11.85 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.111 -0.993 . . . . 0.0 110.298 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.77 38.87 12.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.575 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.572 -0.705 . . . . 0.0 110.578 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -68.64 106.72 2.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.448 -1.408 . . . . 0.0 108.467 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.468 ' CD ' ' NH2' ' B' ' 60' ' ' ARG . 33.8 tt0 -64.6 -40.0 94.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.901 . . . . 0.0 112.443 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.13 -40.0 86.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.642 -1.286 . . . . 0.0 109.616 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.98 -39.37 75.98 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.145 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.05 -49.4 72.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.0 109.632 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' CD ' ' B' ' 56' ' ' GLU . 99.1 mtt180 -60.13 -47.4 86.06 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.509 -0.744 . . . . 0.0 110.526 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.55 -36.67 84.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.848 -1.157 . . . . 0.0 109.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -66.96 -43.69 82.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 110.691 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.96 -49.34 58.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.98 -1.075 . . . . 0.0 110.849 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.58 -46.76 88.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -68.94 -27.09 65.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.341 -0.849 . . . . 0.0 109.752 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -80.32 -34.47 36.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 111.483 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.1 p -131.93 -29.78 1.64 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.597 -1.314 . . . . 0.0 112.286 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.89 14.58 24.56 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.32 155.17 3.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.176 -1.191 . . . . 0.0 109.926 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -88.11 169.15 12.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -0.974 . . . . 0.0 109.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -28.93 70.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 111.361 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.53 -40.3 70.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.52 -1.363 . . . . 0.0 110.029 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -66.8 -39.6 87.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.437 -0.789 . . . . 0.0 110.169 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -64.96 -39.83 94.08 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.312 -0.867 . . . . 0.0 110.669 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -60.04 -36.82 78.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.741 -1.224 . . . . 0.0 109.669 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.58 -39.94 84.85 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.539 -1.351 . . . . 0.0 110.784 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.91 -40.1 83.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.71 -1.244 . . . . 0.0 110.176 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.51 -60.96 2.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.75 -1.218 . . . . 0.0 110.116 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.39 -32.26 82.32 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.65 -49.78 56.42 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.918 -1.342 . . . . 0.0 109.712 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.541 HD21 HD22 ' B' ' 23' ' ' LEU . 90.9 mt -70.06 -40.07 75.29 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.31 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.99 -40.89 95.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.088 -1.007 . . . . 0.0 110.1 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.1 -37.17 75.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.166 -0.959 . . . . 0.0 110.55 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -60.1 -45.42 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.767 -1.208 . . . . 0.0 108.254 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.5 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 0.0 109.518 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.53 -36.94 20.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.154 -0.966 . . . . 0.0 109.926 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -104.08 -84.68 0.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.331 -0.856 . . . . 0.0 110.356 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.053 -1.029 . . . . 0.0 109.484 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 tpp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 p -73.06 158.66 34.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.114 -0.991 . . . . 0.0 109.683 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -80.74 170.08 16.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.356 -0.84 . . . . 0.0 109.48 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.6 p -69.05 159.9 32.01 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.81 -25.41 66.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 111.045 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.44 -39.97 95.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.682 -1.262 . . . . 0.0 110.168 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.503 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 69.4 t60 -60.05 -52.42 65.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.91 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -70.07 -34.46 73.2 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.938 -1.101 . . . . 0.0 109.828 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.53 -0.731 . . . . 0.0 110.221 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.39 -40.0 81.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.011 -1.056 . . . . 0.0 110.22 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.13 13.71 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.083 -1.011 . . . . 0.0 110.382 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.92 -7.87 11.35 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.331 -0.856 . . . . 0.0 110.418 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.71 152.9 26.77 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.952 -1.092 . . . . 0.0 109.527 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -41.57 159.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.134 1.889 . . . . 0.0 111.991 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.702 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.6 ptp -91.27 -19.17 23.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.24 -140.93 17.47 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.63 29.62 6.42 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.429 -1.042 . . . . 0.0 110.128 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.15 149.16 83.19 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.093 -1.004 . . . . 0.0 108.35 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.53 155.83 64.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.231 1.954 . . . . 0.0 112.757 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -52.57 -43.4 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.633 -0.667 . . . . 0.0 110.238 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.57 -3.05 0.89 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 39.0 t -81.52 -21.08 38.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.743 -1.445 . . . . 0.0 109.012 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.84 139.73 58.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.414 -0.804 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.46 136.24 56.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.724 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -21.59 44.17 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.31 115.73 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.108 -1.23 . . . . 0.0 107.914 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.01 178.07 40.3 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -58.66 -40.03 82.34 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -1.085 . . . . 0.0 110.332 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.67 -44.66 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.788 -1.195 . . . . 0.0 109.356 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 27' ' ' GLY . 87.6 mt -67.02 -37.71 84.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.475 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.91 93.75 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -37.82 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -1.229 . . . . 0.0 110.31 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.08 -45.54 80.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.842 -1.161 . . . . 0.0 110.033 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.56 -38.53 87.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.211 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.0 -40.73 90.23 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.659 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.94 -19.99 65.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.183 -0.948 . . . . 0.0 109.045 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -90.04 0.99 56.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.605 -0.684 . . . . 0.0 109.763 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.24 38.7 3.95 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 121.063 -1.023 . . . . 0.0 111.0 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.43 73.77 1.51 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.122 -1.222 . . . . 0.0 108.893 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -82.55 -12.38 57.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.005 -1.059 . . . . 0.0 110.393 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.92 50.53 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.152 -0.967 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.95 94.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.422 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 30.0 p90 -60.1 -20.13 56.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.712 -1.243 . . . . 0.0 111.433 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -78.45 -32.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.415 -1.428 . . . . 0.0 107.477 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.16 -37.12 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD22 ' CE ' ' A' ' 15' ' ' MET . 33.8 tp -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.33 -42.15 93.44 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.96 -40.91 90.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.064 -1.257 . . . . 0.0 109.046 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.01 -39.96 87.64 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.14 -38.69 85.99 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.902 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.24 -28.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 111.428 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 14.42 7.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.877 -1.139 . . . . 0.0 110.821 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm 59.94 19.57 8.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.2 mttt 60.18 19.96 9.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.723 . . . . 0.0 111.219 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 124.75 23.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.463 . . . . 0.0 107.738 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.3 tt0 -64.54 -40.77 96.22 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.102 -0.999 . . . . 0.0 113.503 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.0 -39.84 75.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.533 -1.354 . . . . 0.0 110.559 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.97 -37.41 75.76 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.123 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -63.51 -45.0 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.165 -0.96 . . . . 0.0 109.763 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 96.4 mtt180 -60.04 -45.38 93.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.368 -0.832 . . . . 0.0 111.288 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.71 -36.9 84.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.759 -1.213 . . . . 0.0 109.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.74 -49.63 76.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.075 -1.016 . . . . 0.0 110.919 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.16 -46.3 71.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.954 -1.091 . . . . 0.0 110.303 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -61.11 -49.95 75.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.076 -1.015 . . . . 0.0 110.558 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.37 -26.37 64.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.431 -0.793 . . . . 0.0 109.745 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -79.92 -35.24 38.14 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.256 -0.902 . . . . 0.0 111.033 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -131.13 -27.24 2.05 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.547 -1.346 . . . . 0.0 111.95 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.67 14.86 20.44 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.33 153.92 1.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -1.213 . . . . 0.0 109.145 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -90.79 170.71 9.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.776 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.65 72.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.768 . . . . 0.0 110.847 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.41 -41.41 69.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.852 -1.155 . . . . 0.0 110.269 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -67.09 -35.54 80.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -66.92 -38.08 85.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.174 -0.954 . . . . 0.0 109.945 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.07 -38.9 87.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.862 -1.148 . . . . 0.0 110.099 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.16 -39.81 82.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.718 -1.239 . . . . 0.0 110.672 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.48 -39.95 81.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.912 -1.117 . . . . 0.0 110.204 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -60.66 -59.31 5.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.579 -1.326 . . . . 0.0 110.245 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.21 81.57 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.7 t -68.52 -48.21 64.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.07 -1.253 . . . . 0.0 109.428 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.9 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 82' ' ' ARG . 1.2 tpt180 -60.27 -40.72 91.37 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 0.0 111.434 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.2 t90 -59.95 -44.27 94.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.313 -1.492 . . . . 0.0 108.59 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.97 -39.96 93.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.643 -0.66 . . . . 0.0 109.563 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.6 -33.53 71.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.437 -0.789 . . . . 0.0 109.728 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.73 -35.59 17.83 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.302 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 82.3 m-85 -105.32 -85.71 0.48 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.244 -0.91 . . . . 0.0 110.412 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.817 -1.177 . . . . 0.0 108.585 -179.457 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.3 tpp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -72.96 158.87 34.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 109.707 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -80.87 170.04 16.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.33 -0.856 . . . . 0.0 109.454 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.4 p -69.07 159.85 32.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 108.579 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.75 -25.32 66.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.443 -0.786 . . . . 0.0 111.092 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.59 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.606 -1.309 . . . . 0.0 110.16 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.501 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 69.1 t60 -60.02 -52.46 65.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -70.07 -34.47 73.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.041 -1.037 . . . . 0.0 109.792 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.91 -39.44 72.72 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.062 -1.023 . . . . 0.0 110.365 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.14 13.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.025 -1.047 . . . . 0.0 110.274 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.09 -7.97 11.25 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.277 -0.89 . . . . 0.0 110.466 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.67 152.89 26.81 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 120.886 -1.134 . . . . 0.0 109.488 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.54 160.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.074 1.849 . . . . 0.0 112.108 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.692 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.6 ptp -91.25 -19.38 23.07 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.252 -0.905 . . . . 0.0 109.645 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.28 -140.93 17.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.64 29.68 6.37 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.418 -1.048 . . . . 0.0 110.117 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.27 149.39 82.96 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 108.289 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.63 155.56 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.286 1.991 . . . . 0.0 112.814 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.4 p -52.3 -43.32 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.655 -0.653 . . . . 0.0 110.265 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.59 -3.11 0.92 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.4 t -81.51 -21.09 38.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.798 -1.413 . . . . 0.0 109.045 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.91 139.78 58.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.514 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 136.12 56.74 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.657 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -21.41 44.88 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.46 115.63 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.223 -1.163 . . . . 0.0 107.915 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.419 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.81 178.19 40.7 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -58.75 -39.95 82.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.444 -1.033 . . . . 0.0 110.327 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.76 -44.75 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.127 . . . . 0.0 109.312 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.419 HD12 ' H ' ' B' ' 27' ' ' GLY . 87.1 mt -66.93 -37.69 84.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.98 93.96 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.52 -37.88 88.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -1.21 . . . . 0.0 110.306 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.01 -45.52 81.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.773 -1.204 . . . . 0.0 109.994 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.69 -38.52 88.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -0.991 . . . . 0.0 109.105 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.05 -40.71 90.35 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.607 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.01 -20.01 64.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.156 -0.965 . . . . 0.0 109.024 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -90.0 0.94 56.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.46 -0.775 . . . . 0.0 109.717 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.29 38.8 3.91 Favored Glycine 0 N--CA 1.499 2.894 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.965 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.48 73.76 1.5 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.167 -1.196 . . . . 0.0 108.875 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -82.62 -12.23 57.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.977 -1.077 . . . . 0.0 110.368 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.9 50.56 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.067 -1.021 . . . . 0.0 109.873 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.97 94.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.551 -0.718 . . . . 0.0 111.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 30.3 p90 -60.22 -20.03 57.01 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.647 -1.283 . . . . 0.0 111.429 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.53 -31.98 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.393 -1.442 . . . . 0.0 107.454 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -78.17 -37.21 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.692 HD22 ' CE ' ' B' ' 15' ' ' MET . 33.5 tp -59.94 -39.75 86.6 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.55 -41.97 93.8 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.05 -40.92 91.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -1.218 . . . . 0.0 108.967 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.96 -40.03 87.63 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.07 -38.76 86.35 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.25 -28.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.473 -0.767 . . . . 0.0 111.343 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.87 14.33 7.44 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.831 -1.168 . . . . 0.0 110.797 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 59.94 19.55 8.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.301 -0.875 . . . . 0.0 109.475 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 60.12 19.99 9.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.519 -0.738 . . . . 0.0 111.229 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.76 124.68 23.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.481 -1.387 . . . . 0.0 107.714 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.4 tt0 -64.57 -40.77 96.15 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.172 -0.955 . . . . 0.0 113.528 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.97 -39.86 75.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.697 -1.252 . . . . 0.0 110.612 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.39 75.86 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.113 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.5 -44.9 93.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 109.814 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 96.4 mtt180 -60.11 -45.48 92.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.803 . . . . 0.0 111.223 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.6 -36.97 85.28 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.702 -1.249 . . . . 0.0 109.262 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.65 -49.64 76.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.19 -46.47 70.56 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.107 -0.996 . . . . 0.0 110.265 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.05 -49.96 75.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.126 -0.984 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.24 -26.4 64.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.865 . . . . 0.0 109.736 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.3 m -79.99 -35.21 37.8 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.206 -0.934 . . . . 0.0 111.132 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.99 -27.32 2.07 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.644 -1.285 . . . . 0.0 111.92 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.47 15.05 20.32 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 153.76 1.93 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.01 -1.288 . . . . 0.0 109.104 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.58 170.7 9.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.109 -0.994 . . . . 0.0 109.802 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.65 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.468 -0.77 . . . . 0.0 110.853 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.3 -41.47 69.9 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.701 -1.249 . . . . 0.0 110.202 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -67.07 -35.84 80.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 0.0 110.508 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 19.5 p -66.67 -38.11 86.15 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.09 -38.81 87.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.852 -1.155 . . . . 0.0 110.119 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.07 -39.95 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.717 -1.239 . . . . 0.0 110.68 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.44 -40.12 81.27 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.887 -1.133 . . . . 0.0 110.126 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.42 -59.29 5.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.21 81.8 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.096 -1.05 . . . . 0.0 110.484 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.8 t -68.49 -48.23 64.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.11 -1.23 . . . . 0.0 109.4 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.921 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 82' ' ' ARG . 1.2 tpt180 -60.21 -40.77 91.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.141 -0.974 . . . . 0.0 109.185 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.501 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -39.98 75.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 111.531 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.14 -44.08 95.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.217 -1.552 . . . . 0.0 108.559 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.01 -39.99 94.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.518 -0.739 . . . . 0.0 109.541 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.66 -33.46 71.57 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.464 -0.773 . . . . 0.0 109.738 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.77 -35.53 17.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 82.1 m-85 -105.28 -85.72 0.48 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.329 -0.857 . . . . 0.0 110.366 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.856 -1.153 . . . . 0.0 108.72 -179.459 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p -85.1 161.59 19.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.238 -0.914 . . . . 0.0 110.512 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 p -82.48 170.07 15.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.578 -0.701 . . . . 0.0 109.472 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.4 p -70.02 166.5 19.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.154 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -60.37 -19.74 56.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.814 -0.554 . . . . 0.0 110.818 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.51 -37.32 87.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.681 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.66 -49.3 78.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.072 -1.018 . . . . 0.0 110.522 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.93 -31.03 68.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.11 -0.994 . . . . 0.0 110.328 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.5 -39.97 73.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.166 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -67.2 -42.25 84.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 110.483 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.9 14.77 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.071 -1.018 . . . . 0.0 110.03 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.65 -9.8 13.71 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.425 -0.797 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.65 153.15 28.56 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.843 -1.16 . . . . 0.0 109.959 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.74 160.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.81 1.673 . . . . 0.0 111.373 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.3 ptp -88.93 -19.97 25.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.964 -1.085 . . . . 0.0 109.496 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.58 -142.65 11.25 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.63 28.89 5.67 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.582 -0.952 . . . . 0.0 110.377 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.75 88.67 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 120.99 -1.069 . . . . 0.0 108.443 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.4 159.45 50.28 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.403 2.069 . . . . 0.0 112.746 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.5 p -55.7 -46.08 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.694 -0.629 . . . . 0.0 111.081 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.67 -2.9 0.36 Allowed Glycine 0 N--CA 1.492 2.423 0 O-C-N 121.33 -0.856 . . . . 0.0 110.987 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.8 m -81.0 -18.19 47.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.735 -1.45 . . . . 0.0 109.564 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.86 136.44 56.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -66.29 139.7 58.08 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.32 60.13 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -97.41 118.0 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.73 169.35 40.67 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -1.07 . . . . 0.0 110.106 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.44 -42.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.925 -1.11 . . . . 0.0 109.424 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.78 -38.76 87.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.324 -0.86 . . . . 0.0 109.709 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.84 96.24 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.24 -38.89 90.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.147 . . . . 0.0 110.602 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.91 -42.3 90.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.684 -1.26 . . . . 0.0 109.978 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.16 -39.02 91.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.044 -1.035 . . . . 0.0 109.482 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.188 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.55 -19.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 109.191 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.29 -2.06 58.39 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.82 2.03 36.75 Favored Glycine 0 N--CA 1.505 3.278 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.538 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -102.09 75.49 1.52 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.878 -1.366 . . . . 0.0 108.196 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -78.81 -12.37 60.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.528 -0.732 . . . . 0.0 110.757 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.69 159.48 42.0 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.981 -1.074 . . . . 0.0 110.137 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.25 90.3 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -57.22 -18.42 15.84 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.239 -1.538 . . . . 0.0 111.459 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.97 -33.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.494 -1.379 . . . . 0.0 108.461 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.29 -39.9 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.97 -38.49 82.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.71 -41.58 90.33 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.09 -42.81 95.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -1.176 . . . . 0.0 108.995 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.19 -0.944 . . . . 0.0 109.021 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.39 -38.76 78.13 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.22 -22.52 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.33 13.54 15.18 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.066 -1.021 . . . . 0.0 110.92 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.49 39.58 13.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.581 -1.325 . . . . 0.0 109.977 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.04 19.99 9.15 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.227 -0.921 . . . . 0.0 110.778 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -66.91 106.95 2.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.387 -1.446 . . . . 0.0 108.122 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.2 -40.64 98.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.397 -0.815 . . . . 0.0 112.426 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.2 m-20 -69.54 -39.31 77.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.764 -1.21 . . . . 0.0 109.993 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.02 -38.85 76.02 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.038 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -63.58 -50.08 70.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.195 -0.941 . . . . 0.0 109.974 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.4 mtm180 -61.4 -45.63 93.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.42 -0.8 . . . . 0.0 110.887 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.64 -36.66 83.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.108 . . . . 0.0 108.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -63.76 -46.44 85.3 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.94 -48.29 63.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.188 -0.945 . . . . 0.0 111.112 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.38 -49.06 78.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 110.576 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.02 -26.11 63.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 110.013 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -80.46 -34.21 36.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 110.902 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.61 -31.84 1.76 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.649 -1.282 . . . . 0.0 111.661 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.1 15.88 13.55 Favored Glycine 0 N--CA 1.499 2.894 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.78 2.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.126 -1.22 . . . . 0.0 109.622 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.71 172.12 8.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.235 -0.916 . . . . 0.0 110.196 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.7 75.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 110.868 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.28 73.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.696 -1.253 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.61 -40.03 88.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.328 -0.857 . . . . 0.0 110.322 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.1 m -64.11 -39.29 93.73 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.32 -0.862 . . . . 0.0 110.643 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -59.99 -38.22 81.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.71 -1.244 . . . . 0.0 109.593 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.74 -38.78 83.97 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.803 -1.185 . . . . 0.0 110.658 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.09 -39.92 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.9 -1.125 . . . . 0.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.66 -60.02 4.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.494 -1.379 . . . . 0.0 110.013 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.69 73.42 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 49.7 t -69.99 -50.15 44.47 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.172 -1.193 . . . . 0.0 109.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.74 -41.24 68.71 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.488 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.64 -40.7 95.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.363 -0.836 . . . . 0.0 110.726 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -70.19 -36.92 74.96 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.7 t90 -60.55 -45.99 91.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.52 -1.363 . . . . 0.0 108.512 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 90.7 m -60.03 -40.03 87.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.533 -0.729 . . . . 0.0 110.18 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -59.89 -31.22 69.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.067 -1.021 . . . . 0.0 109.982 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.31 -33.24 15.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.047 -1.033 . . . . 0.0 110.76 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -111.09 2.76 18.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.277 -0.89 . . . . 0.0 112.067 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 7.3 tp . . . . . 0 N--CA 1.503 2.182 0 O-C-N 120.915 -1.116 . . . . 0.0 109.09 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -85.1 161.64 19.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.287 -0.883 . . . . 0.0 110.522 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 71.7 p -82.46 170.02 15.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.638 -0.664 . . . . 0.0 109.444 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.6 p -70.01 166.48 19.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.208 -0.932 . . . . 0.0 110.148 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.51 -19.47 57.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.897 -0.502 . . . . 0.0 110.81 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.67 -37.24 86.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.982 -1.074 . . . . 0.0 109.698 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.75 -49.25 78.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 110.446 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.04 -30.98 68.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.117 -0.989 . . . . 0.0 110.281 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.46 -40.04 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.918 . . . . 0.0 110.21 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -67.21 -42.24 84.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.89 14.89 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.085 -1.01 . . . . 0.0 110.007 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.88 -9.74 13.62 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.453 -0.779 . . . . 0.0 110.505 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.57 153.07 28.54 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 120.857 -1.152 . . . . 0.0 109.905 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -42.7 160.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 121.8 1.667 . . . . 0.0 111.405 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.514 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.3 ptp -89.18 -20.04 24.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 109.398 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.62 -142.62 11.46 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.8 29.04 5.63 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -1.001 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.68 88.77 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.045 -1.035 . . . . 0.0 108.449 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.38 159.48 50.05 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.353 2.035 . . . . 0.0 112.78 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.75 -46.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.691 -0.631 . . . . 0.0 111.02 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.5 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.56 -2.99 0.35 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.6 m -81.01 -18.11 47.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.724 -1.456 . . . . 0.0 109.611 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.79 136.42 56.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.147 -0.97 . . . . 0.0 109.791 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -66.3 139.72 58.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.644 0.735 . . . . 0.0 110.11 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.31 60.14 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.43 118.14 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.72 169.38 40.73 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.98 -39.95 75.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -1.057 . . . . 0.0 110.168 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.49 -42.54 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.975 -1.078 . . . . 0.0 109.459 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.9 -38.67 86.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.298 -0.876 . . . . 0.0 109.68 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.89 96.29 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.2 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.276 -1.131 . . . . 0.0 110.629 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.83 -42.47 90.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.635 -1.291 . . . . 0.0 109.912 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.05 -39.01 90.9 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.188 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.52 -19.28 63.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.24 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.31 -2.05 58.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.567 -0.708 . . . . 0.0 110.082 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.79 1.92 36.82 Favored Glycine 0 N--CA 1.504 3.193 0 O-C-N 121.1 -1.0 . . . . 0.0 111.606 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -101.95 75.5 1.54 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.983 -1.304 . . . . 0.0 108.181 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -78.82 -12.41 60.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 110.745 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.66 159.5 41.95 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.979 -1.076 . . . . 0.0 110.134 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.18 90.74 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -57.3 -18.39 16.55 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.281 -1.512 . . . . 0.0 111.412 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -80.01 -33.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.555 -1.341 . . . . 0.0 108.42 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.21 -40.0 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.514 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.0 tp -60.03 -38.37 82.5 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.61 90.28 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.08 -42.83 95.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -1.216 . . . . 0.0 108.926 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.253 -0.904 . . . . 0.0 109.063 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.45 -38.84 77.98 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.745 -0.782 . . . . 0.0 108.895 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -22.65 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.348 -0.845 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.31 13.59 14.99 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.131 -0.981 . . . . 0.0 110.865 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.5 39.51 13.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.611 -1.306 . . . . 0.0 110.004 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.05 19.96 9.13 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.296 -0.877 . . . . 0.0 110.798 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.82 106.88 2.0 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.358 -1.464 . . . . 0.0 108.175 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -40.71 98.41 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.373 -0.829 . . . . 0.0 112.445 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.494 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.2 m-20 -69.4 -39.37 77.97 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.765 -1.209 . . . . 0.0 110.089 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.96 -38.87 76.22 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.059 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.66 -49.99 71.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.925 . . . . 0.0 109.957 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.4 mtm180 -61.46 -45.66 93.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 110.797 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.55 -36.74 83.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.884 -1.135 . . . . 0.0 108.818 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -63.81 -46.34 85.58 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.0 -48.27 63.49 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.162 -0.961 . . . . 0.0 111.136 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.39 -49.2 77.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.051 -1.03 . . . . 0.0 110.555 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -69.86 -26.17 64.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.999 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.5 m -80.36 -34.41 36.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.046 -1.034 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.4 -31.9 1.8 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.734 -1.229 . . . . 0.0 111.704 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.05 16.0 13.38 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.74 2.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.107 -1.231 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.64 172.13 8.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.234 -0.916 . . . . 0.0 110.221 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.68 75.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.541 -0.725 . . . . 0.0 110.921 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.18 73.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.575 -1.328 . . . . 0.0 110.088 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.65 -39.98 88.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 110.389 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 66.1 m -64.22 -39.22 93.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.354 -0.841 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -60.02 -38.17 81.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.787 -1.195 . . . . 0.0 109.631 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.8 -38.71 83.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.76 -1.213 . . . . 0.0 110.74 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -66.99 -40.05 87.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.793 -1.192 . . . . 0.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.64 -59.99 4.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.53 -1.356 . . . . 0.0 109.978 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -31.7 73.32 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 49.8 t -70.02 -50.14 44.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.7 -41.25 68.84 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.519 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.63 -40.8 96.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 110.631 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -70.04 -37.04 75.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.564 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.6 t90 -60.53 -46.04 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.582 -1.324 . . . . 0.0 108.482 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' B' ' 89' ' ' LEU . 88.5 m -59.96 -40.09 87.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 0.0 110.173 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.8 -31.3 69.58 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.041 -1.037 . . . . 0.0 109.971 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.3 -33.18 15.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.153 -0.967 . . . . 0.0 110.758 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.9 m-85 -111.05 2.77 18.14 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.281 -0.887 . . . . 0.0 112.003 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 85' ' ' CYS . 6.6 tp . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.77 -1.206 . . . . 0.0 109.219 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 2' ' ' THR . 8.5 t -104.99 120.11 40.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.46 -0.775 . . . . 0.0 109.672 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -81.57 160.02 23.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.4 p -70.08 160.36 32.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.341 -0.849 . . . . 0.0 109.204 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -59.94 -24.9 64.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 110.515 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.94 -39.07 88.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.888 -1.133 . . . . 0.0 109.78 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.8 t60 -58.45 -49.97 75.4 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.964 -1.085 . . . . 0.0 110.089 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 83.9 mtm180 -69.97 -32.72 71.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.251 -0.906 . . . . 0.0 110.302 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.34 -39.94 95.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 108.556 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -61.42 -52.39 64.75 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.92 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' CA ' ' A' ' 84' ' ' TRP . 27.2 m -88.79 5.79 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.238 -0.914 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -99.51 -21.0 16.12 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.881 -1.137 . . . . 0.0 109.359 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.87 152.02 36.21 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 159.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.592 1.528 . . . . 0.0 111.099 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.4 ptp -87.42 -23.85 24.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.869 -1.144 . . . . 0.0 108.837 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.91 -141.53 14.6 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.77 30.09 5.34 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.923 . . . . 0.0 110.41 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -60.01 147.97 78.6 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.9 153.97 75.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.557 2.171 . . . . 0.0 113.573 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.49 -32.27 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.33 0.586 . . . . 0.0 110.367 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.39 -4.43 51.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -83.52 -18.81 37.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.858 -1.378 . . . . 0.0 109.336 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 81' ' ' LEU . 91.6 mt -63.4 134.16 55.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 109.778 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 134.03 54.36 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.688 0.756 . . . . 0.0 109.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.72 -19.4 52.52 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -99.03 118.78 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.15 -1.206 . . . . 0.0 108.466 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.53 175.38 39.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.06 -40.05 80.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -1.052 . . . . 0.0 111.05 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.68 -41.48 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.754 -1.216 . . . . 0.0 109.356 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.02 -37.32 83.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.05 96.47 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.99 -40.07 96.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.381 -1.07 . . . . 0.0 110.707 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.04 -43.01 79.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.549 -1.344 . . . . 0.0 110.13 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.56 -39.01 89.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.893 -1.13 . . . . 0.0 108.429 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.91 -41.14 91.05 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.384 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.26 -19.59 65.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 108.686 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -90.64 1.91 56.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.52 -0.738 . . . . 0.0 109.863 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 39.02 4.06 Favored Glycine 0 N--CA 1.498 2.808 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.952 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.16 71.41 1.47 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.989 -1.301 . . . . 0.0 108.687 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -80.99 -13.17 59.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.941 . . . . 0.0 110.409 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -130.07 151.04 51.05 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.273 -0.892 . . . . 0.0 109.589 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.0 93.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.582 -0.699 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -58.28 -19.15 32.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.597 -1.314 . . . . 0.0 110.765 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -78.09 -32.58 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -75.95 -36.32 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.478 HD22 ' CE ' ' A' ' 15' ' ' MET . 23.8 tp -59.92 -38.24 81.78 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.45 98.24 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -43.6 94.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.911 -1.347 . . . . 0.0 108.843 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.98 -40.31 88.69 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -0.792 . . . . 0.0 109.101 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.13 -37.77 81.48 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.89 -29.25 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.466 -0.771 . . . . 0.0 110.445 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.66 11.84 10.02 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.015 . . . . 0.0 110.296 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 47.93 38.7 9.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.793 -1.192 . . . . 0.0 109.957 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 60.02 20.64 9.77 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.667 -0.646 . . . . 0.0 110.706 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.25 105.52 2.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.454 -1.404 . . . . 0.0 108.18 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.44 -40.04 94.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.462 -0.773 . . . . 0.0 112.349 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.26 -39.3 78.53 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.708 -1.245 . . . . 0.0 110.216 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.98 -37.81 75.85 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.27 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -63.85 -43.64 95.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.89 -47.72 84.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.999 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.44 -39.68 94.14 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.674 -1.266 . . . . 0.0 109.074 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -64.5 -47.98 76.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 111.5 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.19 -46.2 71.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.053 -1.03 . . . . 0.0 110.913 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.84 -42.06 95.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.012 -1.055 . . . . 0.0 109.762 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.02 -31.76 69.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.496 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -76.89 -36.84 56.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.427 -0.796 . . . . 0.0 111.147 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.2 p -131.92 -36.75 1.18 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.648 -1.282 . . . . 0.0 111.859 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.29 18.47 6.68 Favored Glycine 0 N--CA 1.503 3.116 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.59 152.14 5.34 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.078 -1.248 . . . . 0.0 110.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -90.95 169.97 10.45 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.791 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.98 70.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.469 -0.769 . . . . 0.0 111.003 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.04 -41.62 74.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.734 -1.229 . . . . 0.0 110.08 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 25.8 mm100 -67.17 -37.02 83.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.4 -0.813 . . . . 0.0 110.603 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -67.12 -37.71 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 110.088 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -59.89 -38.96 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.887 -1.133 . . . . 0.0 109.582 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -67.02 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.801 -1.187 . . . . 0.0 110.535 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.94 -40.01 79.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.725 -1.234 . . . . 0.0 110.496 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.24 -60.43 3.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.681 -1.262 . . . . 0.0 110.193 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.69 72.81 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.24 -51.04 41.57 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.104 -1.233 . . . . 0.0 109.977 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 23' ' ' LEU . 88.2 mt -70.72 -40.24 72.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.864 -1.148 . . . . 0.0 109.774 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.39 -42.19 99.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.123 -0.986 . . . . 0.0 110.651 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 98.4 mt-10 -70.0 -36.09 74.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.048 -1.033 . . . . 0.0 110.584 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.554 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.0 t90 -58.92 -39.69 82.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.39 -1.444 . . . . 0.0 107.828 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.41 ' O ' ' OXT' ' A' ' 89' ' ' LEU . 63.2 m -61.51 -39.95 92.84 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.25 -37.46 83.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.558 -0.714 . . . . 0.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.2 -40.08 14.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.068 -1.02 . . . . 0.0 110.588 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 -103.93 -85.9 0.46 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.201 -0.937 . . . . 0.0 110.213 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' OXT' ' O ' ' A' ' 85' ' ' CYS . 20.1 tp . . . . . 0 N--CA 1.494 1.756 0 O-C-N 120.907 -1.121 . . . . 0.0 109.256 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 2' ' ' THR . 8.3 t -104.91 120.03 40.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.425 -0.797 . . . . 0.0 109.706 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p -81.73 160.01 23.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.216 -0.928 . . . . 0.0 109.902 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -70.03 160.32 32.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 0.0 109.27 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -59.9 -25.01 64.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.677 -0.639 . . . . 0.0 110.559 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.81 -39.09 87.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.897 -1.127 . . . . 0.0 109.763 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.507 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.8 t60 -58.42 -49.98 75.33 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.019 . . . . 0.0 110.113 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 83.9 mtm180 -69.98 -32.8 71.19 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.22 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.0 108.611 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.33 -52.45 64.64 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.999 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.407 HG12 ' CA ' ' B' ' 84' ' ' TRP . 27.2 m -88.64 5.47 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.248 -0.908 . . . . 0.0 111.967 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 8' ' ' ARG . . . -99.28 -20.96 16.29 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.893 -1.13 . . . . 0.0 109.292 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.84 152.07 36.41 Favored Pre-proline 0 C--N 1.302 -1.479 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.2 158.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.581 1.521 . . . . 0.0 111.026 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -87.39 -23.79 24.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.898 -1.126 . . . . 0.0 108.787 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.94 -141.38 15.06 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -104.07 30.08 5.46 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.967 . . . . 0.0 110.3 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -59.98 147.89 78.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.9 153.98 75.88 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.538 2.159 . . . . 0.0 113.554 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.45 -32.3 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 121.347 0.594 . . . . 0.0 110.467 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.3 -4.64 51.54 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -83.27 -18.92 37.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.95 -1.323 . . . . 0.0 109.396 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' B' ' 81' ' ' LEU . 91.1 mt -63.31 134.15 55.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.829 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.81 134.05 54.54 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.55 0.691 . . . . 0.0 109.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.82 -19.59 51.59 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.13 118.95 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.532 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.67 175.46 38.82 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.17 -39.99 80.28 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.379 -1.071 . . . . 0.0 111.085 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.57 -41.45 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 109.525 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.16 -37.24 83.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 109.497 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.92 96.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.16 -39.69 95.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.203 -1.175 . . . . 0.0 110.776 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.581 -1.325 . . . . 0.0 110.134 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.65 -39.04 89.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.919 -1.113 . . . . 0.0 108.329 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.03 -40.95 91.11 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.378 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.3 -19.64 65.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.255 -0.903 . . . . 0.0 108.771 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -90.45 1.64 56.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.54 -0.725 . . . . 0.0 109.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 39.01 4.02 Favored Glycine 0 N--CA 1.5 2.903 0 O-C-N 121.119 -0.988 . . . . 0.0 110.962 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -133.08 71.32 1.47 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.964 -1.315 . . . . 0.0 108.759 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -80.73 -13.3 59.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 110.475 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.95 151.0 50.99 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.171 -0.956 . . . . 0.0 109.621 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.92 93.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.602 -0.687 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -58.32 -18.79 29.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.737 -1.227 . . . . 0.0 110.862 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.3 -32.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.96 -36.29 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 23.9 tp -60.06 -38.03 81.63 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.34 98.29 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -43.72 94.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.852 -1.381 . . . . 0.0 108.838 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.01 -40.34 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.742 . . . . 0.0 109.096 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.11 -37.7 81.44 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.04 -29.22 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.396 -0.815 . . . . 0.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.58 11.59 10.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 48.18 38.46 9.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.757 -1.214 . . . . 0.0 110.053 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.98 21.08 10.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.644 -0.66 . . . . 0.0 110.692 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.49 105.14 2.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.468 -1.395 . . . . 0.0 108.141 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.07 -40.11 95.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.407 -0.808 . . . . 0.0 112.318 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.27 -39.46 78.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.795 -1.191 . . . . 0.0 110.178 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.98 -37.85 75.85 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.2 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -63.75 -43.65 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 109.801 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -59.96 -47.27 86.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.857 . . . . 0.0 111.101 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.86 -39.72 95.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.568 -1.333 . . . . 0.0 108.968 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.5 t90 -64.4 -48.05 76.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 111.438 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.21 -46.0 71.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.002 -1.061 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.91 -42.1 95.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 109.761 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.91 -32.09 70.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.452 -0.78 . . . . 0.0 109.38 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.3 m -76.62 -37.18 56.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.395 -0.815 . . . . 0.0 111.177 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.1 p -131.75 -36.49 1.22 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.674 -1.266 . . . . 0.0 111.914 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.15 18.39 6.79 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 152.09 5.26 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.097 -1.237 . . . . 0.0 110.068 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.98 170.09 10.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.709 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.01 70.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.462 -0.774 . . . . 0.0 110.947 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.12 -41.49 73.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.687 -1.258 . . . . 0.0 110.091 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 25.9 mm100 -67.08 -37.24 83.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.338 -0.851 . . . . 0.0 110.618 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -66.89 -37.7 84.88 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.092 -1.005 . . . . 0.0 110.222 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -60.05 -39.04 84.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.437 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.93 -39.85 87.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.758 -1.214 . . . . 0.0 110.528 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.93 -40.02 79.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.715 -1.241 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.11 -60.59 3.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.654 -1.279 . . . . 0.0 110.162 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -31.75 72.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.03 -51.08 42.8 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.048 -1.266 . . . . 0.0 110.02 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' B' ' 23' ' ' LEU . 88.4 mt -70.69 -40.44 72.9 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.756 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.18 -42.28 99.13 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.068 -1.02 . . . . 0.0 110.635 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.507 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 98.5 mt-10 -69.91 -36.17 75.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.037 -1.039 . . . . 0.0 110.657 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.3 t90 -58.95 -39.66 82.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.318 -1.489 . . . . 0.0 107.768 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 63.4 m -61.54 -40.07 93.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.85 83.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.472 -0.768 . . . . 0.0 110.363 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -39.88 15.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.076 -1.015 . . . . 0.0 110.606 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.4 m-85 -103.97 -85.78 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.907 -1.121 . . . . 0.0 109.15 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.279 0.562 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.9 m -74.86 130.43 39.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 109.42 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -70.51 157.36 38.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 109.647 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.2 m -83.77 170.34 14.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.29 -19.68 64.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 110.31 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.71 -38.07 89.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.962 -1.086 . . . . 0.0 110.234 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -58.9 -50.16 75.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.992 -1.068 . . . . 0.0 110.065 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' A' ' 8' ' ' ARG . 21.8 mmm-85 -69.96 -33.26 71.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.243 -0.911 . . . . 0.0 110.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.12 -38.83 75.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -65.28 -45.28 85.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 110.074 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.104 -0.997 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.37 -11.47 15.53 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.406 -0.809 . . . . 0.0 110.607 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -153.98 151.85 25.52 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 109.336 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -40.16 162.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.258 0 C-N-CA 121.956 1.77 . . . . 0.0 111.854 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.534 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -89.84 -25.99 20.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.87 -138.77 29.56 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.53 29.67 6.34 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.49 -1.006 . . . . 0.0 110.366 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -60.86 149.53 80.21 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.976 -1.078 . . . . 0.0 108.703 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.07 156.83 64.6 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.399 2.066 . . . . 0.0 112.8 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -55.14 -44.64 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.749 -0.595 . . . . 0.0 110.63 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.39 -4.24 0.8 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 20' ' ' VAL . 67.6 m -80.99 -20.59 41.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.758 -1.436 . . . . 0.0 109.446 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.21 136.64 57.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 110.012 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 136.94 57.43 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.21 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.91 -18.01 56.46 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.9 117.01 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.364 -1.08 . . . . 0.0 108.093 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.06 174.34 38.76 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.05 -40.14 80.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -1.093 . . . . 0.0 110.586 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -42.02 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.829 -1.169 . . . . 0.0 109.528 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.49 -38.15 83.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.294 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.94 -37.2 92.27 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.85 -40.02 95.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.359 -1.083 . . . . 0.0 110.658 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.63 -44.04 83.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.544 -1.347 . . . . 0.0 109.689 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.912 -1.117 . . . . 0.0 109.236 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.11 -41.58 96.95 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.652 -0.655 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.08 -21.96 65.85 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 109.624 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.11 2.41 55.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.192 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.61 3.85 32.42 Favored Glycine 0 N--CA 1.506 3.342 0 O-C-N 120.832 -1.168 . . . . 0.0 112.105 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.09 74.51 1.21 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.731 -1.452 . . . . 0.0 108.852 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -80.14 -10.74 59.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.705 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -137.03 158.17 45.07 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.966 -1.084 . . . . 0.0 110.459 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -40.55 89.48 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.79 -18.75 34.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.219 -1.551 . . . . 0.0 110.99 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -79.15 -35.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.556 -1.34 . . . . 0.0 107.926 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.07 -39.4 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD22 ' CE ' ' A' ' 15' ' ' MET . 54.2 tp -59.97 -39.02 84.24 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.57 -43.83 53.32 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.12 -40.89 91.27 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.211 -1.17 . . . . 0.0 108.862 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.4 -39.9 88.99 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.211 -0.93 . . . . 0.0 108.526 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' B' ' 50' ' ' LEU . 73.6 mt -67.36 -39.75 85.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.78 -31.18 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.432 -0.792 . . . . 0.0 110.597 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.55 15.55 7.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 110.097 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 48.06 39.35 11.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.939 -1.101 . . . . 0.0 110.296 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 60.06 20.01 9.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.456 -0.777 . . . . 0.0 110.66 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.38 114.31 5.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.646 -1.284 . . . . 0.0 108.187 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.99 -42.66 94.31 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.0 m-20 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.446 -1.409 . . . . 0.0 110.678 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.74 -38.86 76.98 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.034 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.64 -49.97 71.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.175 -0.953 . . . . 0.0 109.954 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 82.4 mtm180 -60.05 -43.77 95.15 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.249 -0.907 . . . . 0.0 110.491 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.59 -37.48 87.47 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.958 -1.089 . . . . 0.0 108.929 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.405 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -63.92 -47.32 81.0 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.435 -0.791 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.26 -48.29 65.47 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 110.572 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.1 -47.29 86.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.156 -0.965 . . . . 0.0 109.914 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.9 t0 -69.22 -29.74 67.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.526 -0.734 . . . . 0.0 109.563 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -78.8 -35.21 44.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 0.0 111.137 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.42 -28.95 2.04 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.12 14.6 22.16 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.87 1.64 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.159 -1.2 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -90.67 172.43 8.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.059 -1.026 . . . . 0.0 110.203 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.53 75.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.645 -0.659 . . . . 0.0 110.468 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.07 -40.37 71.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.786 -1.196 . . . . 0.0 109.742 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.68 -38.36 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.398 -0.814 . . . . 0.0 110.422 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -66.42 -38.55 87.7 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.062 -1.024 . . . . 0.0 110.275 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.01 -37.08 78.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.858 -1.151 . . . . 0.0 109.467 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.0 -38.8 83.06 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.769 -1.207 . . . . 0.0 110.448 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.4 -39.94 81.47 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.805 -1.184 . . . . 0.0 109.908 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.99 -60.9 3.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.807 -1.183 . . . . 0.0 110.147 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.16 -33.05 82.76 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.0 t -69.81 -48.96 57.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.99 -40.04 75.56 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.763 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -61.9 -39.99 93.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.165 -0.96 . . . . 0.0 109.897 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -69.04 -39.0 79.46 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 110.409 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.8 t90 -60.7 -44.59 96.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.37 -1.456 . . . . 0.0 108.495 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.428 ' O ' ' OXT' ' A' ' 89' ' ' LEU . 57.2 m -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.923 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.62 -32.73 70.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 110.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.16 -33.22 14.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.195 -0.941 . . . . 0.0 111.378 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.9 m-85 -111.79 0.12 16.11 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.192 -0.942 . . . . 0.0 112.617 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.428 ' OXT' ' O ' ' A' ' 85' ' ' CYS . 11.4 tp . . . . . 0 N--CA 1.503 2.187 0 O-C-N 120.614 -1.304 . . . . 0.0 109.09 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.265 0.555 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -74.69 130.46 39.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -70.53 157.31 38.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.6 m -83.68 170.21 14.49 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -63.23 -19.67 64.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.674 -0.642 . . . . 0.0 110.381 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.76 -38.1 89.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.001 -1.062 . . . . 0.0 110.203 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -58.76 -50.13 75.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.128 . . . . 0.0 110.151 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.429 HH11 ' HG3' ' B' ' 8' ' ' ARG . 21.8 mmm-85 -70.04 -33.2 71.66 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.17 -0.956 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -38.91 75.91 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.334 -0.854 . . . . 0.0 110.093 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.26 -45.19 85.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 110.036 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 109.803 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.57 -11.23 15.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.413 -0.804 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.07 151.73 25.14 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.882 -1.136 . . . . 0.0 109.357 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -40.24 162.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 121.929 1.753 . . . . 0.0 111.888 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.537 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -89.87 -25.65 20.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.45 -138.8 27.71 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.34 29.63 6.3 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.456 -1.026 . . . . 0.0 110.426 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -60.72 149.43 79.54 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 108.755 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.87 156.75 64.72 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.468 2.112 . . . . 0.0 112.885 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.469 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.3 p -55.06 -44.83 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.636 -0.665 . . . . 0.0 110.562 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.469 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.22 -4.19 0.74 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 67.0 m -81.19 -20.52 41.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.822 -1.399 . . . . 0.0 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 136.7 57.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.951 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 136.9 57.37 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.241 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.84 -17.75 56.9 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.8 mm -99.02 116.9 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.308 -1.113 . . . . 0.0 108.103 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.95 174.23 38.82 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.87 -40.35 79.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 0.0 110.55 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -41.95 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.78 -1.2 . . . . 0.0 109.582 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.38 -38.24 84.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 109.323 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.31 92.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.64 -39.9 95.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.49 -1.006 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.72 -44.0 82.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.584 -1.323 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.53 -40.11 95.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.852 -1.155 . . . . 0.0 109.225 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.4 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.87 -22.05 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.229 -0.919 . . . . 0.0 109.559 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.1 2.54 55.15 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.286 -0.884 . . . . 0.0 111.244 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 3.99 32.77 Favored Glycine 0 N--CA 1.506 3.355 0 O-C-N 120.907 -1.121 . . . . 0.0 112.127 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.22 74.46 1.19 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.729 -1.454 . . . . 0.0 108.854 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -80.06 -10.69 59.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.415 -0.803 . . . . 0.0 110.782 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -137.06 158.18 45.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.02 -1.05 . . . . 0.0 110.523 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.67 89.84 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.69 -18.93 35.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.279 -1.513 . . . . 0.0 110.998 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.95 -35.06 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.635 -1.29 . . . . 0.0 107.942 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.15 -39.34 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.537 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.4 tp -59.96 -39.14 84.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.34 -43.95 52.08 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.07 -40.85 90.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.217 -1.167 . . . . 0.0 108.815 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -60.46 -39.74 88.66 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 50' ' ' LEU . 73.9 mt -67.45 -39.88 85.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.74 -31.03 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.425 -0.797 . . . . 0.0 110.548 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 15.86 7.62 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.128 -0.982 . . . . 0.0 110.049 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 47.78 39.33 10.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.934 -1.104 . . . . 0.0 110.328 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.0 19.99 9.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.436 -0.79 . . . . 0.0 110.69 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.28 114.41 5.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.548 -1.345 . . . . 0.0 108.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.05 -42.66 94.04 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 95.9 m-20 -70.01 -39.97 75.53 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.564 -1.335 . . . . 0.0 110.64 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.87 -38.83 76.54 Favored 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.017 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.59 -49.92 71.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 110.04 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.47 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.4 mtm180 -60.04 -43.9 95.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.229 -0.919 . . . . 0.0 110.474 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.43 -37.48 87.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.945 -1.097 . . . . 0.0 108.93 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -64.11 -47.15 81.11 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.487 -0.758 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.31 -48.27 65.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 110.539 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.11 -47.08 87.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.977 . . . . 0.0 109.905 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 38.4 t0 -69.59 -29.57 67.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.452 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.9 m -78.78 -35.27 44.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 111.094 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.35 -29.18 2.03 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.684 -1.26 . . . . 0.0 111.952 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.15 14.77 21.7 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.93 153.8 1.68 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.099 -1.236 . . . . 0.0 109.447 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -90.64 172.4 8.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.992 -1.068 . . . . 0.0 110.146 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.43 75.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.566 -0.709 . . . . 0.0 110.362 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.21 -40.36 71.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.762 -1.211 . . . . 0.0 109.765 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.64 -38.41 83.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.446 -0.784 . . . . 0.0 110.45 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.0 p -66.35 -38.61 88.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.176 -0.952 . . . . 0.0 110.233 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -60.02 -37.09 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.832 -1.167 . . . . 0.0 109.508 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.0 -38.8 83.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.7 -1.25 . . . . 0.0 110.414 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.35 -39.97 81.66 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.726 -1.234 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.1 -60.77 3.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.821 -1.174 . . . . 0.0 110.196 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.03 82.89 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.61 -49.16 56.63 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.128 -1.219 . . . . 0.0 109.97 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.93 -39.98 75.81 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.896 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -61.8 -40.0 93.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.3 -0.875 . . . . 0.0 109.929 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.11 -39.03 79.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.149 -0.969 . . . . 0.0 110.364 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.8 t90 -60.73 -44.55 96.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.389 -1.444 . . . . 0.0 108.535 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' B' ' 89' ' ' LEU . 56.8 m -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.48 -0.762 . . . . 0.0 109.888 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.68 -32.76 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.267 -0.895 . . . . 0.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.13 -33.3 14.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.243 -0.91 . . . . 0.0 111.371 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.2 m-85 -111.72 0.03 16.14 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.256 -0.902 . . . . 0.0 112.58 -177.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 85' ' ' CYS . 10.6 tp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 120.726 -1.233 . . . . 0.0 109.292 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m 46.41 24.19 0.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.9 p -59.94 139.96 57.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.103 -0.998 . . . . 0.0 109.314 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.7 p -79.98 170.05 17.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.869 . . . . 0.0 109.577 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -62.09 -18.98 62.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 0.0 110.201 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.53 -38.63 85.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.928 -1.108 . . . . 0.0 109.75 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.509 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 71.0 t60 -59.39 -51.02 71.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.097 -1.002 . . . . 0.0 110.847 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -69.9 -31.98 70.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 109.883 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -70.43 -39.94 74.09 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.453 -0.779 . . . . 0.0 110.135 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -43.32 84.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.198 -0.939 . . . . 0.0 110.504 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.0 14.63 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.914 -1.116 . . . . 0.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 -11.09 12.02 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.538 -0.726 . . . . 0.0 110.76 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.81 152.45 27.01 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 120.821 -1.175 . . . . 0.0 109.282 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -41.98 161.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.917 1.745 . . . . 0.0 112.087 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.511 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.88 -20.62 22.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.79 -140.53 15.77 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -105.15 28.34 7.36 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.511 -0.993 . . . . 0.0 110.22 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.81 148.52 82.68 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 120.852 -1.155 . . . . 0.0 108.488 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.9 156.48 61.98 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.408 2.072 . . . . 0.0 112.473 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.26 -43.95 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.633 -0.667 . . . . 0.0 110.39 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.97 -4.57 0.45 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . 52.5 m -81.86 -19.71 40.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.707 -1.466 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.94 136.75 57.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.86 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 136.03 56.65 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.869 -0.733 . . . . 0.0 109.649 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.64 -16.26 58.93 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.14 117.57 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.188 -1.184 . . . . 0.0 108.208 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.59 173.18 36.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.28 -40.01 73.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -1.053 . . . . 0.0 110.664 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.03 -41.62 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.41 -38.25 84.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.66 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.84 93.43 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -65.84 -39.92 91.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.299 -1.118 . . . . 0.0 110.951 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -66.96 -42.51 85.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.656 -1.278 . . . . 0.0 109.532 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.64 -39.9 95.51 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.033 -1.042 . . . . 0.0 109.276 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.0 -40.2 88.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.665 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.11 -19.29 65.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 109.008 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.17 2.46 56.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.437 -0.789 . . . . 0.0 110.519 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.62 5.91 44.59 Favored Glycine 0 N--CA 1.503 3.145 0 O-C-N 121.052 -1.03 . . . . 0.0 111.924 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.68 73.91 1.11 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.731 -1.452 . . . . 0.0 109.018 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -81.81 -12.52 58.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.3 151.39 50.86 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.19 90.58 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.413 -0.804 . . . . 0.0 112.022 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -58.37 -19.28 34.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.545 -1.347 . . . . 0.0 110.69 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -79.18 -32.95 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.676 -1.265 . . . . 0.0 107.744 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.86 -38.76 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' HE3' ' A' ' 15' ' ' MET . 46.6 tp -59.92 -37.06 78.37 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.88 95.44 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.14 -45.29 93.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.035 -1.273 . . . . 0.0 109.556 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 108.688 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.2 -39.14 82.51 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.8 -0.76 . . . . 0.0 108.99 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.96 -25.73 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 110.503 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.09 16.6 6.91 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.443 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.3 33.4 7.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.985 -1.072 . . . . 0.0 109.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.69 20.79 10.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.403 -0.811 . . . . 0.0 110.453 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -66.37 114.76 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.66 -1.275 . . . . 0.0 107.878 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.46 -41.24 96.63 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.3 -0.875 . . . . 0.0 112.405 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.22 -40.03 78.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.555 -1.341 . . . . 0.0 109.784 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.98 -40.05 75.57 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.149 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -64.96 -50.04 67.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.193 -0.942 . . . . 0.0 109.673 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -60.03 -46.32 89.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.81 -36.23 82.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.832 -1.168 . . . . 0.0 108.836 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.421 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.09 -46.61 83.47 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.389 -0.819 . . . . 0.0 111.102 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -70.13 -50.69 38.05 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.25 -47.04 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.036 -1.04 . . . . 0.0 110.019 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.79 65.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 0.0 109.728 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 49.0 m -81.05 -33.44 33.48 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.189 -0.945 . . . . 0.0 111.622 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 p -131.47 -28.4 1.86 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.414 -1.429 . . . . 0.0 112.059 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.86 14.31 21.45 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 153.25 2.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.302 . . . . 0.0 109.021 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -90.26 171.44 9.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 110.273 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.81 73.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.714 -0.616 . . . . 0.0 110.168 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.32 -41.57 73.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.772 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 110.535 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.0 m -64.71 -39.98 94.57 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.108 -0.995 . . . . 0.0 110.692 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.37 -37.32 80.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.762 -1.211 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -67.46 -39.95 85.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.636 -1.29 . . . . 0.0 111.032 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.86 -39.96 79.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.888 -1.133 . . . . 0.0 110.855 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.44 -60.59 3.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.537 -1.352 . . . . 0.0 110.098 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.24 -30.66 71.36 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.3 t -69.02 -51.32 40.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -1.205 . . . . 0.0 109.796 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.17 -40.44 71.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.01 -1.056 . . . . 0.0 109.371 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.34 -40.68 95.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.798 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 93.6 mt-10 -69.98 -37.75 75.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 110.515 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.599 -1.313 . . . . 0.0 109.185 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.0 m -60.95 -40.02 91.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.175 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.32 -28.11 67.87 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.707 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.66 12.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.25 -0.906 . . . . 0.0 111.295 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.8 m-85 -111.55 -9.66 14.17 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.506 2.359 0 O-C-N 120.247 -1.533 . . . . 0.0 109.348 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m 46.24 24.35 0.27 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.319 -0.863 . . . . 0.0 109.531 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -60.01 139.96 57.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.6 p -80.05 170.01 17.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.858 . . . . 0.0 109.553 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -61.94 -18.98 62.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.726 -0.609 . . . . 0.0 110.22 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.53 -38.47 84.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.816 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.508 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 71.0 t60 -59.65 -50.92 72.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.149 -0.97 . . . . 0.0 110.823 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -70.04 -31.81 69.63 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.919 -1.113 . . . . 0.0 109.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.56 -39.88 73.68 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.594 -0.691 . . . . 0.0 110.016 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.69 -43.34 84.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -0.944 . . . . 0.0 110.498 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.02 14.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.949 -1.095 . . . . 0.0 109.394 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.45 -11.15 11.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.576 -0.703 . . . . 0.0 110.723 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.73 152.48 27.2 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 120.889 -1.132 . . . . 0.0 109.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.06 161.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.913 1.742 . . . . 0.0 112.116 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.2 ptp -90.96 -20.42 22.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.235 -0.916 . . . . 0.0 109.403 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.47 -140.62 13.91 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.04 28.51 7.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.456 -1.026 . . . . 0.0 110.23 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -61.09 148.57 84.26 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 120.875 -1.141 . . . . 0.0 108.458 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.0 156.46 62.49 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.36 2.04 . . . . 0.0 112.53 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.35 -43.72 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.586 -0.697 . . . . 0.0 110.409 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.18 -4.33 0.47 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' VAL . 52.5 m -81.99 -19.92 39.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.717 -1.461 . . . . 0.0 109.248 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.84 136.72 57.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.175 -0.953 . . . . 0.0 109.781 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.57 136.11 56.68 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.661 0.743 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.56 -16.31 58.96 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -99.09 117.52 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.129 -1.218 . . . . 0.0 108.221 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.16 36.9 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.4 -39.99 73.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -1.069 . . . . 0.0 110.674 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.98 -41.64 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.864 -1.147 . . . . 0.0 109.815 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.3 -38.38 84.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.324 -0.86 . . . . 0.0 109.625 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -37.95 93.51 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.67 -40.04 91.96 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 110.923 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -66.82 -42.49 85.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.673 -1.267 . . . . 0.0 109.619 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.75 -39.79 95.13 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.306 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.98 -40.26 88.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.756 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.03 -19.31 65.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.272 -0.893 . . . . 0.0 108.998 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.22 2.71 56.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.519 -0.738 . . . . 0.0 110.528 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.35 5.93 45.36 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 121.027 -1.046 . . . . 0.0 111.922 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.82 73.92 1.1 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.699 -1.471 . . . . 0.0 109.0 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 30.2 p-10 -81.91 -12.36 58.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.982 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.45 151.35 51.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.07 90.09 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.425 -0.797 . . . . 0.0 112.008 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -58.37 -19.4 35.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.447 -1.408 . . . . 0.0 110.638 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -79.13 -32.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.628 -1.295 . . . . 0.0 107.775 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.01 -38.66 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.5 tp -59.92 -37.35 79.21 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.36 -41.11 94.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -60.07 -45.27 93.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.136 -1.214 . . . . 0.0 109.412 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.02 -39.94 87.58 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.856 . . . . 0.0 108.752 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.89 -25.58 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.221 -0.924 . . . . 0.0 110.627 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.26 16.8 6.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.953 -1.092 . . . . 0.0 109.469 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.0 33.57 6.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.025 . . . . 0.0 110.004 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.73 20.45 10.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.464 -0.773 . . . . 0.0 110.461 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -66.13 114.83 5.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.708 -1.245 . . . . 0.0 107.805 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.45 -41.37 96.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.266 -0.896 . . . . 0.0 112.462 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.09 -39.99 78.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.516 -1.365 . . . . 0.0 109.803 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.05 -40.0 75.36 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.173 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.0 -50.03 67.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.666 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -60.07 -46.49 89.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.417 -0.802 . . . . 0.0 110.777 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.74 -36.06 81.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.888 -1.133 . . . . 0.0 108.768 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.426 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -64.3 -46.45 83.53 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.491 -0.756 . . . . 0.0 111.081 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -70.15 -50.73 37.47 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.049 -1.032 . . . . 0.0 110.308 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.22 -47.09 87.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.995 . . . . 0.0 110.034 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.81 65.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.855 . . . . 0.0 109.772 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 48.8 m -81.01 -33.39 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 111.732 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.34 -28.66 1.87 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.463 -1.398 . . . . 0.0 112.078 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.05 14.45 20.74 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.58 153.37 2.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.004 -1.292 . . . . 0.0 108.993 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -90.33 171.36 9.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.052 -1.03 . . . . 0.0 110.256 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.6 73.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.705 -0.622 . . . . 0.0 110.134 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -70.39 -41.63 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.876 -1.14 . . . . 0.0 109.768 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -40.02 84.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.264 -0.898 . . . . 0.0 110.468 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -64.54 -40.02 94.82 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.065 -1.022 . . . . 0.0 110.667 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.61 -37.11 80.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.777 -1.202 . . . . 0.0 110.151 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.62 -39.98 84.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.564 -1.335 . . . . 0.0 111.027 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.79 -40.03 79.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.833 -1.167 . . . . 0.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.54 -60.44 3.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.602 -1.312 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.35 -30.49 71.39 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.14 -51.19 40.8 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.285 -1.126 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.25 -40.2 71.15 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.436 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.54 -40.62 95.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 93.6 mt-10 -70.03 -37.85 75.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 110.47 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.6 t90 -62.74 -43.62 98.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.652 -1.28 . . . . 0.0 109.211 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.93 -40.05 91.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.256 -0.902 . . . . 0.0 110.176 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.26 -28.08 67.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.97 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.19 -35.75 12.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.182 -0.949 . . . . 0.0 111.174 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.37 -9.82 14.24 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 N--CA 1.505 2.32 0 O-C-N 120.243 -1.536 . . . . 0.0 109.457 -179.715 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.4 p -92.05 -157.05 0.49 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.131 -0.981 . . . . 0.0 109.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -68.97 160.31 31.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.25 -0.906 . . . . 0.0 109.055 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -58.62 159.54 6.47 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.209 -0.932 . . . . 0.0 108.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.02 -21.78 66.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.621 -0.674 . . . . 0.0 110.475 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.22 -37.58 87.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.111 -0.993 . . . . 0.0 109.908 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.505 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 74.0 t60 -59.33 -49.61 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.953 -1.092 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' HG2' HH11 ' A' ' 8' ' ' ARG . 30.1 mtt-85 -69.85 -32.1 70.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.02 -39.93 72.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.409 -0.807 . . . . 0.0 110.173 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.63 -42.69 91.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.349 -0.845 . . . . 0.0 110.201 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.5 m -82.61 15.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.96 -8.88 12.48 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.588 -0.695 . . . . 0.0 110.39 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.09 154.09 28.22 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 120.814 -1.179 . . . . 0.0 109.716 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.92 162.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.097 1.865 . . . . 0.0 112.121 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.539 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.1 ptp -94.67 -21.84 18.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -139.78 34.43 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.51 30.33 5.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -1.059 . . . . 0.0 109.967 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.68 148.24 67.96 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 120.965 -1.084 . . . . 0.0 108.717 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.28 155.25 66.56 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.489 2.126 . . . . 0.0 112.579 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.4 p -52.8 -43.23 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.632 -0.667 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.89 -2.97 2.93 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 p -82.11 -26.25 33.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.921 -1.341 . . . . 0.0 108.856 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.03 138.88 58.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.645 0.736 . . . . 0.0 109.236 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 136.6 57.31 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.784 0.802 . . . . 0.0 110.136 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.98 51.38 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.2 mm -99.02 119.98 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.127 -1.22 . . . . 0.0 108.393 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.69 176.26 37.88 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.676 -1.369 . . . . 0.0 109.676 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.49 -39.94 81.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.487 -1.008 . . . . 0.0 110.481 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.843 -1.161 . . . . 0.0 109.697 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.3 mt -65.54 -36.62 84.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.621 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -39.92 96.93 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -62.97 -39.88 96.01 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.318 -1.107 . . . . 0.0 110.587 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -66.99 -47.58 71.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.763 -1.21 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.41 -39.92 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.109 -0.994 . . . . 0.0 108.483 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.07 -40.71 90.47 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.501 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.68 -20.98 65.36 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 0.0 108.877 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 37' ' ' ARG . 55.4 mtt-85 -89.81 3.06 54.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.288 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.72 5.28 45.11 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.985 -1.072 . . . . 0.0 111.965 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.87 75.61 1.2 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.715 -1.462 . . . . 0.0 109.157 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -83.5 -10.57 58.25 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 45.6 mmtm -130.89 152.34 50.33 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.125 -0.985 . . . . 0.0 109.489 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.63 93.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 111.271 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 24.7 p90 -58.64 -19.92 43.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.679 -1.263 . . . . 0.0 111.269 -177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -79.86 -33.72 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.462 -1.399 . . . . 0.0 107.919 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.99 -37.36 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD22 ' CE ' ' A' ' 15' ' ' MET . 20.2 tp -59.99 -37.91 81.02 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.5 -42.32 95.86 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.43 -44.97 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -1.232 . . . . 0.0 108.885 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.03 -38.62 82.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.0 -21.16 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.504 -0.747 . . . . 0.0 111.362 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.67 14.97 13.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.883 -1.136 . . . . 0.0 111.058 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.3 mttm 49.82 39.43 18.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.654 -1.278 . . . . 0.0 110.201 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.95 19.58 8.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.23 -0.919 . . . . 0.0 109.712 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -70.19 106.85 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.423 -1.423 . . . . 0.0 108.884 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.95 -39.98 95.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.504 -0.747 . . . . 0.0 112.151 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.1 m-20 -68.06 -39.94 82.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.444 -1.41 . . . . 0.0 109.741 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.02 -39.63 75.7 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.178 -1.009 . . . . 0.0 108.806 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.29 -49.94 67.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.0 mtm180 -60.19 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.117 -0.989 . . . . 0.0 110.918 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -64.58 -35.15 80.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.5 -1.375 . . . . 0.0 108.923 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.01 -47.83 78.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.13 -0.981 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.44 -51.04 48.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.034 -1.041 . . . . 0.0 110.454 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -46.63 88.94 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.626 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.49 -29.06 66.63 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.451 -0.781 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.2 m -80.32 -32.4 37.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 111.239 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.63 -30.75 1.24 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.59 -1.319 . . . . 0.0 111.929 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.49 15.32 13.95 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.17 152.62 2.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.08 -1.247 . . . . 0.0 109.491 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -90.26 171.39 9.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.158 -0.964 . . . . 0.0 110.055 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -34.53 73.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.612 -0.68 . . . . 0.0 110.497 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.57 -40.92 73.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.874 -1.141 . . . . 0.0 109.908 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.39 -38.41 84.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.337 -0.852 . . . . 0.0 110.909 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.8 m -68.13 -37.71 81.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.18 -0.95 . . . . 0.0 110.282 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.99 -38.34 82.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.656 -1.277 . . . . 0.0 109.779 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.93 -39.34 79.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.656 -1.278 . . . . 0.0 111.085 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.553 -1.342 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.86 -59.78 4.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.548 -1.345 . . . . 0.0 110.253 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.75 -31.24 70.98 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.0 t -69.48 -48.76 59.69 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.221 -1.164 . . . . 0.0 110.092 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.0 -40.05 75.52 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.634 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -62.43 -40.11 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.289 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -69.94 -39.07 76.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.983 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -63.0 -46.24 88.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.357 -1.464 . . . . 0.0 109.293 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.5 m -60.98 -40.27 92.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 0.0 110.253 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.28 -27.29 65.7 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.058 -1.027 . . . . 0.0 109.138 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.9 -35.49 12.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.214 -0.929 . . . . 0.0 111.14 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -111.51 -7.26 14.33 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.23 -0.919 . . . . 0.0 113.038 -176.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.502 2.14 0 O-C-N 120.254 -1.529 . . . . 0.0 109.499 -179.584 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 78.6 p -92.1 -156.86 0.48 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.177 -0.952 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -69.11 160.36 31.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.216 -0.927 . . . . 0.0 109.052 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 22.1 t -58.65 159.6 6.46 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.21 -0.932 . . . . 0.0 108.838 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.1 -21.69 66.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.603 -0.685 . . . . 0.0 110.45 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.3 -37.54 87.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.086 -1.009 . . . . 0.0 109.908 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.509 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.9 t60 -59.35 -49.53 77.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 110.421 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' B' ' 8' ' ' ARG . 30.4 mtt-85 -69.95 -31.97 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.219 -0.926 . . . . 0.0 109.827 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.06 -39.94 71.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.378 -0.826 . . . . 0.0 110.158 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.75 -42.69 90.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 110.153 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.42 15.54 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.766 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.82 -8.76 12.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.561 -0.712 . . . . 0.0 110.325 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.17 154.03 28.01 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.88 -1.137 . . . . 0.0 109.744 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.93 162.32 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.119 1.879 . . . . 0.0 112.186 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.535 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.9 ptp -94.67 -21.82 18.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.152 -0.967 . . . . 0.0 110.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.7 -139.76 35.2 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.74 30.67 5.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.381 -1.07 . . . . 0.0 109.847 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.81 148.19 69.51 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 120.967 -1.083 . . . . 0.0 108.782 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.21 155.39 65.5 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.451 2.101 . . . . 0.0 112.634 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.4 p -52.93 -43.29 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.663 -0.648 . . . . 0.0 110.323 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.432 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.82 -3.0 2.89 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.7 p -81.93 -26.38 34.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.918 -1.342 . . . . 0.0 108.961 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.93 138.98 58.13 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.611 0.72 . . . . 0.0 109.213 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 136.67 57.34 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.724 0.773 . . . . 0.0 110.107 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.55 -19.85 51.96 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.23 119.98 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.048 -1.266 . . . . 0.0 108.376 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.63 176.31 38.03 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.37 -40.02 81.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.438 -1.037 . . . . 0.0 110.601 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.81 -44.35 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.948 -1.095 . . . . 0.0 109.752 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.5 -36.64 84.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 109.623 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.0 96.93 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.89 -39.98 96.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.202 -1.175 . . . . 0.0 110.54 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.03 -47.54 71.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.652 -1.28 . . . . 0.0 109.745 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -40.02 89.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.117 -0.99 . . . . 0.0 108.415 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.04 -40.63 90.07 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.538 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 108.818 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 37' ' ' ARG . 55.4 mtt-85 -89.8 2.8 54.48 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.766 . . . . 0.0 110.18 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 5.15 44.54 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.071 -1.018 . . . . 0.0 111.989 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.68 75.46 1.21 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.777 -1.425 . . . . 0.0 109.255 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 36.2 p-10 -83.41 -10.91 58.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.349 -0.844 . . . . 0.0 110.799 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 45.7 mmtm -130.61 152.45 49.97 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.66 93.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 111.271 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 23.8 p90 -58.64 -19.81 42.24 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.632 -1.293 . . . . 0.0 111.288 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 t -79.83 -33.75 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.395 -1.441 . . . . 0.0 107.997 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -75.99 -37.24 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE ' ' B' ' 15' ' ' MET . 19.9 tp -60.06 -37.83 81.03 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.19 95.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.71 -44.81 96.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.025 -1.279 . . . . 0.0 108.871 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.08 -38.34 82.25 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.17 -21.22 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.456 -0.777 . . . . 0.0 111.302 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -91.64 14.84 13.97 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.785 -1.197 . . . . 0.0 110.989 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 49.9 39.38 18.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.619 -1.3 . . . . 0.0 110.313 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.84 19.9 8.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 109.819 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -70.41 106.52 3.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.626 -1.296 . . . . 0.0 108.91 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.65 -40.01 95.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.1 m-20 -68.17 -39.96 82.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.585 -1.322 . . . . 0.0 109.724 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.97 -39.7 75.81 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.777 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.14 -49.92 68.0 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.766 . . . . 0.0 109.721 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.0 mtm180 -60.45 -47.83 84.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.184 -0.948 . . . . 0.0 110.99 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -64.79 -35.13 80.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.537 -1.352 . . . . 0.0 108.836 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.8 t90 -63.92 -47.96 78.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.38 -50.96 49.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.035 -1.041 . . . . 0.0 110.47 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.09 -46.69 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.331 -0.855 . . . . 0.0 109.661 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 -29.08 66.65 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.535 -0.728 . . . . 0.0 109.667 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 40.0 m -80.31 -32.28 38.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.85 . . . . 0.0 111.287 -178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.8 -30.61 1.23 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.57 -1.332 . . . . 0.0 111.926 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.42 15.13 14.41 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.08 152.51 2.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.181 -1.187 . . . . 0.0 109.587 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.14 171.45 9.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.133 -0.979 . . . . 0.0 110.169 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.75 73.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.536 -0.727 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.36 -40.77 73.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.832 -1.167 . . . . 0.0 110.023 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.47 -38.74 84.89 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.858 . . . . 0.0 110.748 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -67.85 -37.93 82.48 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 110.318 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.93 -38.42 82.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.69 -1.256 . . . . 0.0 109.737 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -68.75 -39.27 80.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.526 -1.359 . . . . 0.0 111.189 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.25 -40.07 78.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.54 -1.35 . . . . 0.0 110.657 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.69 -59.95 4.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.523 -1.361 . . . . 0.0 110.303 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.6 -31.31 70.6 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.44 -48.85 59.64 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.228 -1.16 . . . . 0.0 110.031 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.675 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.987 -1.07 . . . . 0.0 110.247 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -38.93 76.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 0.0 110.958 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -63.06 -46.3 88.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.464 -1.397 . . . . 0.0 109.266 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.12 -40.11 92.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.34 -27.36 65.86 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.77 -35.62 12.68 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.379 -0.826 . . . . 0.0 111.143 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.3 m-85 -111.64 -6.92 14.31 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.224 -0.923 . . . . 0.0 113.175 -176.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.255 -1.528 . . . . 0.0 109.435 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.7 m -102.46 -20.26 14.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.279 -0.888 . . . . 0.0 110.367 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.3 p -71.78 154.76 41.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 109.976 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -74.88 165.73 24.77 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.95 -23.42 66.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.624 -0.673 . . . . 0.0 110.546 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.0 -37.24 81.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.84 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.12 -50.0 75.73 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.068 -1.02 . . . . 0.0 110.349 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.02 -33.25 71.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.043 -1.036 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.6 -36.75 68.18 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.08 -41.47 86.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.193 -0.942 . . . . 0.0 110.136 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.62 17.06 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.19 -0.944 . . . . 0.0 109.91 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -6.07 10.02 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.556 -0.715 . . . . 0.0 110.226 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -152.69 151.27 26.45 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 120.89 -1.131 . . . . 0.0 109.638 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -43.3 159.03 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.905 1.737 . . . . 0.0 111.887 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.649 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -93.67 -27.1 16.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.059 -1.025 . . . . 0.0 109.401 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.93 -136.03 45.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.19 30.04 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.492 -1.005 . . . . 0.0 110.624 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.05 148.47 77.54 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 154.42 73.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.206 1.938 . . . . 0.0 112.67 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 21' ' ' GLY . 12.0 p -53.34 -45.8 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.716 -0.615 . . . . 0.0 110.797 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.584 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.96 -3.18 1.55 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.7 t -81.91 -21.12 37.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.947 -1.325 . . . . 0.0 108.803 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.29 139.98 58.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.473 -0.767 . . . . 0.0 109.247 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 134.82 56.03 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.355 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.96 -20.01 50.83 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.34 117.94 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.028 -1.278 . . . . 0.0 108.238 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.16 175.53 36.48 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 120.638 -1.289 . . . . 0.0 110.138 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.04 -40.07 79.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.534 -0.98 . . . . 0.0 110.704 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.44 -43.52 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.814 -1.178 . . . . 0.0 109.598 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.19 -35.81 81.42 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 109.596 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.94 96.26 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.54 -38.82 90.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.257 -1.143 . . . . 0.0 110.777 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.16 -48.04 69.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.737 -1.227 . . . . 0.0 109.791 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -38.37 85.47 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -41.74 92.62 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.614 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -67.61 -18.97 65.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 0.0 108.772 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.04 57.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.646 -0.659 . . . . 0.0 110.112 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.97 4.09 45.16 Favored Glycine 0 N--CA 1.505 3.275 0 O-C-N 121.034 -1.041 . . . . 0.0 111.973 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -104.01 75.48 1.28 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.885 -1.362 . . . . 0.0 108.925 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -82.64 -11.51 58.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -130.15 151.88 50.19 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.048 -1.032 . . . . 0.0 109.657 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.0 95.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.733 -0.604 . . . . 0.0 111.353 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -59.45 -19.25 46.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.151 . . . . 0.0 111.122 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.36 -33.51 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.491 -1.38 . . . . 0.0 107.671 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.49 -37.35 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD22 ' CE ' ' A' ' 15' ' ' MET . 22.6 tp -60.02 -38.49 82.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.33 -40.13 95.6 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -60.07 -42.96 95.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -1.206 . . . . 0.0 108.395 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.97 -39.19 79.6 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.13 -27.93 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.391 -0.818 . . . . 0.0 110.355 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.47 12.91 11.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.154 -0.966 . . . . 0.0 110.348 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.3 39.68 9.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.771 -1.205 . . . . 0.0 109.756 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.03 20.96 10.09 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.798 -0.563 . . . . 0.0 110.69 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.75 108.48 4.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.601 -1.312 . . . . 0.0 108.995 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.65 -40.09 95.99 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.26 -39.2 78.56 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.599 -1.313 . . . . 0.0 110.939 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.48 -37.57 77.33 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.059 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.48 -46.01 88.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 0.0 109.562 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.94 -48.81 80.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 111.105 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.33 -39.96 96.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.687 -1.258 . . . . 0.0 108.847 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.06 -48.24 77.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.161 -0.962 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.48 -44.51 82.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.057 -1.027 . . . . 0.0 110.266 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.03 -48.93 79.68 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -69.49 -28.86 66.42 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -76.91 -38.6 53.17 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.007 -1.058 . . . . 0.0 111.493 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.8 p -130.27 -29.65 2.01 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.506 -1.371 . . . . 0.0 112.35 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.83 14.11 27.85 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.551 -1.819 . . . . 0.0 108.551 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.5 1.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.24 -1.153 . . . . 0.0 109.243 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' N ' ' A' ' 71' ' ' ALA . 33.5 t30 -87.95 168.94 12.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.028 -1.045 . . . . 0.0 110.519 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 70' ' ' ASN . . . -61.24 -33.58 73.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.708 -0.62 . . . . 0.0 110.491 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -71.31 -41.28 70.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.018 -1.051 . . . . 0.0 109.808 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.49 -35.15 79.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.405 -0.809 . . . . 0.0 110.253 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -68.4 -38.57 81.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.414 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -60.35 -37.73 81.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.847 -1.158 . . . . 0.0 109.615 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.41 -38.72 81.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.685 -1.259 . . . . 0.0 110.786 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.23 -40.0 89.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.796 -1.19 . . . . 0.0 110.156 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.39 -58.9 6.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.716 -1.24 . . . . 0.0 109.847 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.32 85.0 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.81 -50.78 54.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.83 -1.394 . . . . 0.0 109.908 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.95 -39.81 75.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.357 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.95 -40.03 96.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.109 -0.994 . . . . 0.0 110.766 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.25 -39.39 78.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.92 -1.112 . . . . 0.0 110.584 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.0 t90 -60.35 -44.26 95.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.702 -1.249 . . . . 0.0 108.699 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 m -60.04 -40.5 89.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.364 -0.835 . . . . 0.0 109.775 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.27 -31.86 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -0.881 . . . . 0.0 110.052 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.82 -36.36 18.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.129 -0.982 . . . . 0.0 110.363 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.1 m-85 -107.2 -87.84 0.47 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.468 -0.77 . . . . 0.0 110.37 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.119 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 75.0 m -102.47 -20.28 14.58 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.235 -0.915 . . . . 0.0 110.32 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -71.9 155.06 40.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 110.022 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.3 t -75.07 165.62 24.95 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.87 -23.47 66.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.605 -0.684 . . . . 0.0 110.543 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.01 -37.23 81.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.042 -1.036 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -59.16 -50.04 75.58 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.11 -0.993 . . . . 0.0 110.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.04 -33.17 71.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 110.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.59 -36.92 68.25 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -66.97 -41.46 86.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -0.916 . . . . 0.0 110.136 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.69 17.2 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 -6.13 9.98 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.495 -0.753 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -152.68 151.29 26.5 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 120.864 -1.147 . . . . 0.0 109.647 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -43.27 158.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.846 1.697 . . . . 0.0 111.878 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.645 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.2 ptp -93.46 -27.01 16.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.043 -1.036 . . . . 0.0 109.475 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.69 -136.08 45.01 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.12 30.04 6.55 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.481 -1.011 . . . . 0.0 110.623 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.0 148.5 77.1 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.862 -1.149 . . . . 0.0 108.06 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.15 154.44 73.46 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.244 1.963 . . . . 0.0 112.682 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 21' ' ' GLY . 12.0 p -53.24 -45.79 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.75 -0.594 . . . . 0.0 110.773 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -59.01 -3.09 1.52 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.418 ' H ' ' C ' ' B' ' 20' ' ' VAL . 23.7 t -82.03 -21.14 37.12 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.889 -1.359 . . . . 0.0 108.818 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.36 140.02 58.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.416 -0.802 . . . . 0.0 109.199 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.73 134.7 55.81 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.41 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.97 50.94 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 109.989 -1.245 . . . . 0.0 109.989 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.36 117.83 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.045 -1.268 . . . . 0.0 108.334 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 175.58 36.41 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 120.714 -1.241 . . . . 0.0 110.194 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -58.1 -39.95 79.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.495 -1.003 . . . . 0.0 110.677 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.62 -43.47 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.24 -35.76 81.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.632 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.97 96.24 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.51 -38.97 91.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.185 -1.185 . . . . 0.0 110.773 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.08 -47.91 69.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.712 -1.242 . . . . 0.0 109.759 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.9 mt -60.99 -38.47 86.11 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -41.6 92.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.621 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.69 -18.97 65.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 108.794 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.01 57.29 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.096 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.25 45.34 Favored Glycine 0 N--CA 1.505 3.249 0 O-C-N 121.032 -1.043 . . . . 0.0 111.927 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -104.21 75.59 1.27 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.934 -1.333 . . . . 0.0 108.96 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -82.75 -11.4 58.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.305 -0.872 . . . . 0.0 110.661 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -130.22 152.02 50.1 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.95 95.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.704 -0.622 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -59.47 -19.35 47.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.792 -1.193 . . . . 0.0 111.118 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -79.18 -33.51 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.507 -1.371 . . . . 0.0 107.744 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.8 t -77.51 -37.43 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.645 HD22 ' CE ' ' B' ' 15' ' ' MET . 22.3 tp -60.03 -38.59 83.18 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.17 -40.17 95.4 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tp60 -60.02 -42.99 95.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -1.187 . . . . 0.0 108.426 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.91 -39.26 79.76 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.11 -27.78 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.321 -0.862 . . . . 0.0 110.388 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.59 12.99 11.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.092 -1.005 . . . . 0.0 110.324 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.13 39.71 8.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.765 -1.209 . . . . 0.0 109.802 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 59.97 20.91 9.96 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.799 -0.563 . . . . 0.0 110.663 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.57 108.42 4.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.501 -1.374 . . . . 0.0 108.999 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.73 -39.97 95.61 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.3 -39.15 78.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.575 -1.328 . . . . 0.0 110.957 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.53 -37.63 77.2 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.063 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.4 -45.97 88.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.02 -48.98 79.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 111.121 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.792 -1.193 . . . . 0.0 108.882 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.14 -48.18 77.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 111.349 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.42 -44.62 82.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.264 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.07 -48.8 80.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.139 -0.976 . . . . 0.0 109.721 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -69.35 -29.42 67.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 64.3 m -76.44 -38.72 55.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 111.551 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.1 p -130.23 -29.65 2.02 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.505 -1.372 . . . . 0.0 112.293 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.84 14.17 27.69 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.96 155.48 1.2 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -1.167 . . . . 0.0 109.22 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.443 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 33.8 t30 -87.73 169.08 12.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.993 -1.067 . . . . 0.0 110.539 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' B' ' 70' ' ' ASN . . . -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.752 -0.593 . . . . 0.0 110.574 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.39 -41.27 69.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.845 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.38 -35.18 79.69 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.362 -0.836 . . . . 0.0 110.342 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -68.42 -38.61 81.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 110.369 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -60.35 -37.64 81.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.829 -1.17 . . . . 0.0 109.612 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.51 -38.63 81.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.565 -1.334 . . . . 0.0 110.828 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -66.25 -39.99 89.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.862 -1.149 . . . . 0.0 110.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -58.39 -58.81 6.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.655 -1.278 . . . . 0.0 109.907 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -33.3 84.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.89 -50.69 54.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.348 . . . . 0.0 109.909 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.05 -39.72 75.52 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.378 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -63.15 -39.99 96.25 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 110.72 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.15 -39.35 78.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.989 -1.069 . . . . 0.0 110.603 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.1 t90 -60.47 -44.12 96.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.58 -1.325 . . . . 0.0 108.673 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 m -60.02 -40.63 89.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.3 -31.71 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -0.842 . . . . 0.0 110.102 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -36.69 18.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.127 -0.983 . . . . 0.0 110.371 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -107.12 -87.82 0.47 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 110.358 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.086 -1.009 . . . . 0.0 109.102 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.403 0.621 . . . . 0.0 109.462 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 p -80.02 166.22 21.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.649 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.5 p -70.92 150.67 45.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.286 -0.884 . . . . 0.0 109.405 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -79.08 162.74 25.66 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.302 -0.874 . . . . 0.0 109.171 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.25 -22.09 62.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.656 -0.653 . . . . 0.0 109.748 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.32 -37.1 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 109.8 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' A' ' 11' ' ' VAL . 71.6 t60 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.22 -0.925 . . . . 0.0 110.869 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.66 -32.72 71.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.59 -39.83 73.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.364 -0.835 . . . . 0.0 111.067 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.0 -40.69 75.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.934 -1.104 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.3 m -83.62 11.72 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.056 -1.027 . . . . 0.0 110.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.27 -5.17 10.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.321 -0.862 . . . . 0.0 110.512 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.72 151.62 23.93 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 120.983 -1.073 . . . . 0.0 109.307 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -42.51 159.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 121.915 1.743 . . . . 0.0 111.824 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.8 ptp -92.67 -22.0 19.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.95 -138.05 39.21 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -106.86 31.37 5.36 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.575 -0.956 . . . . 0.0 110.201 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.0 148.66 76.72 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.036 -1.04 . . . . 0.0 108.936 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.39 77.36 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.324 2.016 . . . . 0.0 112.442 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.0 p -52.7 -39.36 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 110.645 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.09 -3.21 5.99 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 m -81.76 -24.47 36.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.804 -1.409 . . . . 0.0 109.253 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.03 139.97 58.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.271 -0.893 . . . . 0.0 109.733 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 137.44 58.05 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.643 0.735 . . . . 0.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -21.01 47.75 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.44 120.13 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.1 -1.235 . . . . 0.0 108.603 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -91.51 176.13 39.67 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.58 -39.94 85.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.545 -0.974 . . . . 0.0 110.459 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.67 -44.65 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.873 -1.142 . . . . 0.0 109.425 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 27' ' ' GLY . 68.8 mt -67.13 -36.77 82.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -36.98 91.97 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 36' ' ' GLU . 62.7 tttm -64.01 -40.01 95.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.558 -0.966 . . . . 0.0 110.146 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.01 -48.32 71.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.899 -1.126 . . . . 0.0 109.966 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.05 -38.5 86.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.015 . . . . 0.0 108.714 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.93 -40.05 87.6 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.625 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 98.9 mt-10 -68.8 -19.12 64.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 108.857 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.49 0.6 56.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.606 -0.684 . . . . 0.0 110.363 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.95 3.96 42.11 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 121.059 -1.026 . . . . 0.0 111.891 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.45 76.47 1.31 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.893 -1.357 . . . . 0.0 109.035 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 37.7 p-10 -80.99 -10.09 59.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.861 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.98 158.79 43.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.897 -1.127 . . . . 0.0 110.719 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.58 92.24 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -59.93 -19.74 53.57 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.43 -1.419 . . . . 0.0 111.195 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.08 -34.83 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.51 -1.369 . . . . 0.0 107.541 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.86 -36.43 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.1 tp -60.09 -38.23 82.32 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.33 -41.93 95.32 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.05 -41.69 92.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.007 -1.29 . . . . 0.0 108.943 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.46 -40.19 90.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 108.883 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.21 -38.59 82.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.21 -29.94 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.28 12.36 8.28 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.051 -1.031 . . . . 0.0 110.266 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 48.22 38.46 10.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.8 -1.188 . . . . 0.0 110.039 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 59.98 20.06 9.13 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.52 -0.738 . . . . 0.0 110.78 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -68.85 106.95 2.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.407 -1.433 . . . . 0.0 108.66 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.86 -40.02 94.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.875 . . . . 0.0 112.122 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -67.8 -39.95 83.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.84 -1.162 . . . . 0.0 109.944 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.04 -37.83 75.68 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.283 -0.967 . . . . 0.0 109.142 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.83 -41.71 91.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.819 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.456 HH22 ' CG ' ' A' ' 75' ' ' ARG . 50.6 mtt-85 -59.88 -49.79 76.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.927 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.0 -38.69 91.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.74 -1.225 . . . . 0.0 109.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.5 t90 -62.56 -47.78 82.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.835 . . . . 0.0 110.646 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.01 -48.6 62.61 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.162 -0.961 . . . . 0.0 110.4 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.17 -48.02 83.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.06 -1.025 . . . . 0.0 109.524 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 31.6 t0 -67.6 -32.18 72.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.5 m -79.07 -34.95 43.21 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.355 -0.841 . . . . 0.0 111.242 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.4 p -133.05 -39.74 0.94 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.528 -1.357 . . . . 0.0 112.182 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.493 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 113.54 16.79 7.93 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.2 152.18 3.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.993 -1.298 . . . . 0.0 109.782 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.0 172.49 8.41 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.165 -0.96 . . . . 0.0 109.822 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.18 71.59 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.349 -0.844 . . . . 0.0 110.988 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -70.2 -40.07 74.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.71 -1.243 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -66.26 -39.72 89.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 110.352 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 m -63.78 -39.95 95.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.365 -0.835 . . . . 0.0 110.603 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' CG ' HH22 ' A' ' 60' ' ' ARG . 95.6 mtt180 -61.19 -38.57 87.0 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.673 -1.267 . . . . 0.0 109.279 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.96 -39.9 75.74 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.849 -1.157 . . . . 0.0 110.501 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.74 -39.98 80.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.917 -1.114 . . . . 0.0 109.356 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -59.87 4.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.976 -1.077 . . . . 0.0 110.052 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.86 -32.96 83.77 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -67.29 -49.98 62.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.949 -1.324 . . . . 0.0 109.38 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.56 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -63.76 -40.01 95.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.044 -1.035 . . . . 0.0 110.374 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -69.79 -38.57 76.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 110.099 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.1 t90 -61.62 -44.57 96.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.732 -1.23 . . . . 0.0 108.728 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.2 -39.95 88.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 0.0 109.169 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.53 -31.71 69.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.396 -0.815 . . . . 0.0 110.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.25 18.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 110.695 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 98.4 m-85 -105.73 -85.57 0.49 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.209 -0.932 . . . . 0.0 110.298 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.762 0 O-C-N 120.931 -1.106 . . . . 0.0 108.941 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.328 0.585 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.3 p -80.25 166.45 21.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.9 p -71.11 150.74 45.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 0.0 109.346 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 92.1 p -79.03 162.74 25.7 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.357 -0.84 . . . . 0.0 109.245 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.36 -21.99 62.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.67 -0.644 . . . . 0.0 109.782 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.51 -37.11 80.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.945 . . . . 0.0 109.706 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.425 ' O ' HG22 ' B' ' 11' ' ' VAL . 71.9 t60 -59.91 -49.98 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.122 -0.986 . . . . 0.0 110.802 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.72 -32.73 71.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.942 -1.099 . . . . 0.0 109.522 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.64 -39.91 73.38 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.472 -0.768 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -69.92 -40.78 75.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.824 -1.173 . . . . 0.0 110.816 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 7' ' ' HIS . 17.1 m -83.69 12.03 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.063 -1.023 . . . . 0.0 110.808 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.55 -5.23 10.28 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.336 -0.853 . . . . 0.0 110.411 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.71 151.41 23.48 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 120.937 -1.102 . . . . 0.0 109.352 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -42.33 159.97 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.834 1.689 . . . . 0.0 111.829 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.651 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -92.74 -21.62 19.84 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.202 -0.936 . . . . 0.0 109.951 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.4 -138.07 37.12 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -106.74 31.53 5.21 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.584 -0.951 . . . . 0.0 110.194 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.04 148.69 76.93 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.918 -1.114 . . . . 0.0 108.994 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.35 77.6 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.401 2.067 . . . . 0.0 112.422 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.8 p -52.76 -39.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.749 -0.594 . . . . 0.0 110.679 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.404 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.25 -2.97 5.94 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -82.08 -24.42 35.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.82 -1.4 . . . . 0.0 109.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.01 139.85 58.81 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.951 0.882 . . . . 0.0 109.743 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 137.41 58.07 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.663 0.744 . . . . 0.0 110.518 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.18 -20.97 47.92 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.37 120.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.034 -1.274 . . . . 0.0 108.519 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.408 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.89 175.99 38.94 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -59.5 -39.99 85.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.987 . . . . 0.0 110.401 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -44.79 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.408 HD12 ' H ' ' B' ' 27' ' ' GLY . 70.1 mt -67.03 -36.85 83.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.07 92.02 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' B' ' 36' ' ' GLU . 62.7 tttm -64.04 -40.01 95.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.962 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.89 -48.34 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.903 -1.123 . . . . 0.0 109.93 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.92 -38.47 85.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.039 -1.038 . . . . 0.0 108.729 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.05 -40.2 88.6 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 98.8 mt-10 -68.49 -19.26 64.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.221 -0.924 . . . . 0.0 108.896 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -89.6 1.17 56.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.381 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.55 3.87 43.43 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.998 -1.064 . . . . 0.0 111.895 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.77 76.76 1.29 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.978 -1.307 . . . . 0.0 109.068 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -81.29 -10.1 59.64 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.808 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.92 158.93 43.32 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.908 -1.12 . . . . 0.0 110.62 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.3 -19.95 57.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.423 -1.423 . . . . 0.0 111.099 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -77.98 -34.67 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.542 -1.349 . . . . 0.0 107.565 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.93 -36.4 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.7 tp -60.07 -38.21 82.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.38 -42.01 95.45 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.02 -41.68 92.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.941 -1.329 . . . . 0.0 108.848 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -60.37 -40.16 89.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.423 -0.798 . . . . 0.0 108.87 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.31 -38.9 82.07 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.0 -29.66 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.381 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.63 12.72 8.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.046 -1.034 . . . . 0.0 110.245 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 69.0 mttm 47.94 38.35 9.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.691 -1.256 . . . . 0.0 110.206 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 60.01 19.95 9.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.556 -0.715 . . . . 0.0 110.755 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.67 106.92 2.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.402 -1.436 . . . . 0.0 108.615 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -40.13 94.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.946 . . . . 0.0 112.12 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.57 -40.02 84.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.879 -1.138 . . . . 0.0 110.041 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.158 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.76 -41.71 91.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.513 -0.742 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.452 HH22 ' CG ' ' B' ' 75' ' ' ARG . 49.5 mtt-85 -59.99 -49.95 75.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.276 -0.89 . . . . 0.0 110.931 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.82 -38.36 90.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.891 -1.131 . . . . 0.0 109.164 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.98 -47.56 82.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.366 -0.834 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.94 -48.73 62.52 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.07 -48.12 83.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.043 -1.036 . . . . 0.0 109.511 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 36.5 t0 -67.47 -31.93 72.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.606 -0.684 . . . . 0.0 109.38 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.7 m -79.34 -34.77 41.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.825 . . . . 0.0 111.3 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.4 p -133.14 -39.87 0.93 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.57 -1.331 . . . . 0.0 112.083 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 113.45 17.08 7.79 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.28 152.18 3.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.993 -1.298 . . . . 0.0 109.775 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.88 172.77 8.24 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.105 -0.997 . . . . 0.0 109.735 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.2 71.71 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.4 -0.812 . . . . 0.0 110.998 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -70.35 -40.08 74.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.776 -1.202 . . . . 0.0 109.856 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.19 -39.73 89.91 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.426 -0.796 . . . . 0.0 110.325 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' SER . . . . . 0.403 ' HB2' HH12 ' B' ' 60' ' ' ARG . 56.7 m -63.76 -40.02 95.69 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.189 -0.944 . . . . 0.0 110.579 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.452 ' CG ' HH22 ' B' ' 60' ' ' ARG . 95.8 mtt180 -61.36 -38.31 86.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.61 -1.307 . . . . 0.0 109.227 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.948 -1.095 . . . . 0.0 110.626 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -68.69 -40.12 80.19 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.88 -1.137 . . . . 0.0 109.406 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.1 -59.68 5.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.065 . . . . 0.0 110.03 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.83 83.62 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.54 -49.87 61.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.906 -1.349 . . . . 0.0 109.35 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -39.95 75.23 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.45 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.66 -40.05 95.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.105 -0.997 . . . . 0.0 110.482 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.85 -38.52 76.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.083 -1.011 . . . . 0.0 110.117 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -61.67 -44.71 96.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.621 -1.3 . . . . 0.0 108.655 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.08 -39.97 87.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.47 -31.47 69.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.496 -0.752 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -36.29 18.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.994 -1.066 . . . . 0.0 110.601 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.4 m-85 -105.55 -85.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.269 -0.895 . . . . 0.0 110.14 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.836 -1.165 . . . . 0.0 108.981 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptm . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.404 0.621 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.4 m -65.57 143.86 57.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.7 p -70.01 160.02 32.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 109.73 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.4 m -79.51 168.51 19.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.836 . . . . 0.0 109.291 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.692 -0.63 . . . . 0.0 110.289 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.8 -39.44 94.24 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.154 -0.966 . . . . 0.0 109.734 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 72.3 t60 -59.87 -50.23 74.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.061 -1.024 . . . . 0.0 110.596 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 99.2 mtt180 -70.23 -33.61 71.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.974 -1.079 . . . . 0.0 109.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.79 -39.97 72.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.345 -0.847 . . . . 0.0 110.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.94 -44.48 80.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.434 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 7' ' ' HIS . 14.0 m -84.95 13.71 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 110.367 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -110.73 -10.3 14.47 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.281 -0.887 . . . . 0.0 110.529 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -153.95 152.12 26.14 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 120.969 -1.082 . . . . 0.0 109.215 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -40.48 160.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.091 1.86 . . . . 0.0 112.039 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.589 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -88.69 -20.82 24.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.038 -1.039 . . . . 0.0 109.648 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.15 -140.01 13.13 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.52 29.89 6.16 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.438 -1.036 . . . . 0.0 110.435 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.69 149.84 77.82 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.944 -1.098 . . . . 0.0 108.686 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.66 156.96 61.12 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.555 2.17 . . . . 0.0 112.909 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.58 -40.79 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.618 -0.676 . . . . 0.0 110.607 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.85 -2.3 2.48 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -81.16 -21.66 39.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.857 -1.378 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.27 139.96 58.66 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.336 -0.852 . . . . 0.0 109.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 136.35 56.69 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.536 0.684 . . . . 0.0 109.837 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.29 -19.97 51.82 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -98.52 116.87 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -1.146 . . . . 0.0 108.174 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.01 177.08 38.08 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -58.03 -39.93 79.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.419 -1.048 . . . . 0.0 110.321 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -43.82 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.022 . . . . 0.0 109.419 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 73' ' ' GLN . 89.8 mt -67.64 -39.54 84.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -0.879 . . . . 0.0 109.659 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.06 -36.94 90.75 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.44 -39.74 92.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -1.056 . . . . 0.0 110.685 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.27 -47.01 71.94 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.741 -1.225 . . . . 0.0 110.142 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 mt -60.02 -39.72 86.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.9 -1.125 . . . . 0.0 108.292 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.15 -40.62 90.49 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.948 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.31 -19.6 64.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.065 -1.022 . . . . 0.0 108.767 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HG2' HH11 ' A' ' 37' ' ' ARG . 1.3 mmt-85 -89.95 1.26 56.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.513 -0.742 . . . . 0.0 110.684 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.98 40.54 Favored Glycine 0 N--CA 1.505 3.24 0 O-C-N 120.969 -1.082 . . . . 0.0 111.836 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -103.77 73.57 1.18 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.889 -1.359 . . . . 0.0 108.618 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.63 -12.5 57.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.665 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.17 151.16 51.0 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 109.697 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.02 94.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -59.98 -19.6 53.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.501 -1.374 . . . . 0.0 110.959 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.08 -32.18 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.636 -1.29 . . . . 0.0 107.638 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.25 -39.48 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.0 tp -59.94 -38.74 83.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.25 -43.61 74.95 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -60.08 -42.95 95.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.263 . . . . 0.0 109.529 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.63 -37.95 83.2 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.804 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.32 -26.78 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.097 -1.002 . . . . 0.0 110.932 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.69 12.44 10.7 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.98 -1.075 . . . . 0.0 111.232 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 47.95 38.77 9.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.643 -1.286 . . . . 0.0 110.01 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 60.09 20.16 9.39 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.566 -0.709 . . . . 0.0 110.553 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -67.4 106.72 2.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.58 -1.325 . . . . 0.0 108.288 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.3 -40.84 96.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.323 -0.86 . . . . 0.0 112.745 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.28 -39.12 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.434 -1.416 . . . . 0.0 109.528 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.88 -39.81 76.08 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.66 -48.78 73.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 109.773 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -59.98 -47.42 85.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.379 -0.826 . . . . 0.0 110.415 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.09 -37.5 87.69 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.18 -0.95 . . . . 0.0 109.44 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -63.72 -47.51 80.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.242 -0.911 . . . . 0.0 111.45 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.01 -46.74 67.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 0.0 110.704 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.38 -47.83 84.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.028 -1.045 . . . . 0.0 110.338 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.03 -26.54 64.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.734 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -80.48 -33.47 36.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.189 -0.944 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.6 p -132.3 -26.94 1.83 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.624 -1.298 . . . . 0.0 111.938 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.33 13.77 27.71 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.83 153.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.084 -1.245 . . . . 0.0 109.061 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.07 171.73 9.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 109.83 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.97 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.581 -0.699 . . . . 0.0 110.694 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -71.69 -40.1 69.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.857 -1.152 . . . . 0.0 109.736 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' A' ' 30' ' ' LEU . 96.8 mt-30 -65.45 -39.64 92.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.476 -0.765 . . . . 0.0 109.749 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 m -63.36 -39.98 96.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.499 -0.75 . . . . 0.0 110.576 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.22 -38.43 83.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.765 -1.209 . . . . 0.0 110.167 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.94 -39.79 83.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.59 -1.319 . . . . 0.0 110.808 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.3 -40.11 81.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.73 -1.231 . . . . 0.0 110.253 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.32 -60.33 4.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.628 -1.295 . . . . 0.0 110.459 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.65 -32.17 77.65 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.0 -1.294 . . . . 0.0 110.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.034 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -62.11 -40.04 94.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -0.888 . . . . 0.0 110.569 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.1 mt-10 -70.01 -38.33 75.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 111.218 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.1 t90 -61.47 -45.05 95.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.446 -1.409 . . . . 0.0 109.161 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.45 -40.11 93.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.0 110.225 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.61 -29.59 66.58 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.63 12.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.203 -0.936 . . . . 0.0 111.499 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 83.3 m-85 -109.96 -10.86 14.7 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.157 -0.964 . . . . 0.0 113.366 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 N--CA 1.504 2.228 0 O-C-N 120.278 -1.514 . . . . 0.0 109.487 -179.604 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.415 0.626 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -65.8 143.99 57.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.129 -0.982 . . . . 0.0 109.612 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.4 p -70.09 159.98 32.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.345 -0.847 . . . . 0.0 109.776 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m -79.3 168.4 19.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 0.0 109.374 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.08 -20.11 66.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.547 -0.721 . . . . 0.0 110.207 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -39.4 94.11 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.193 -0.942 . . . . 0.0 109.835 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' B' ' 11' ' ' VAL . 72.2 t60 -60.02 -50.23 74.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 110.62 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 99.2 mtt180 -70.04 -33.51 72.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.91 -39.98 72.42 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.372 -0.83 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.99 -44.42 80.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.102 -0.999 . . . . 0.0 110.468 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 7' ' ' HIS . 14.2 m -85.14 14.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.976 -1.078 . . . . 0.0 110.301 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -110.95 -10.51 14.39 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.381 -0.824 . . . . 0.0 110.515 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -153.85 152.1 26.24 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.936 -1.102 . . . . 0.0 109.111 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.44 160.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.024 1.816 . . . . 0.0 112.101 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.557 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -88.83 -20.8 24.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.068 -1.02 . . . . 0.0 109.637 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.04 -140.0 12.54 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.47 30.07 5.99 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.463 -1.022 . . . . 0.0 110.454 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.85 149.8 79.22 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.869 -1.145 . . . . 0.0 108.664 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.67 156.86 61.71 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.503 2.135 . . . . 0.0 112.984 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -55.31 -40.99 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.638 -0.664 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -2.26 2.41 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 72.9 m -81.28 -21.42 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.807 -1.408 . . . . 0.0 108.96 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.56 139.85 58.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.274 -0.891 . . . . 0.0 109.744 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 136.29 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.649 0.738 . . . . 0.0 109.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.5 -20.01 51.39 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.4 117.13 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.195 -1.179 . . . . 0.0 108.187 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 177.2 38.08 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -58.09 -40.03 80.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -1.012 . . . . 0.0 110.265 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.25 -43.89 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.494 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.44 HD11 ' NE2' ' B' ' 73' ' ' GLN . 90.9 mt -67.62 -39.59 84.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.19 -36.91 90.78 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.34 -39.98 93.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -1.041 . . . . 0.0 110.649 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.91 -47.15 72.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.862 -1.149 . . . . 0.0 110.193 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.01 -39.76 86.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.953 -1.092 . . . . 0.0 108.298 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.06 -19.56 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.3 mmt-85 -90.03 1.38 56.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.452 -0.78 . . . . 0.0 110.593 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.29 5.06 40.62 Favored Glycine 0 N--CA 1.505 3.266 0 O-C-N 121.039 -1.038 . . . . 0.0 111.797 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.87 73.57 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.792 -1.416 . . . . 0.0 108.549 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.76 -12.68 57.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.788 . . . . 0.0 110.651 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.06 151.3 50.76 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.153 -0.967 . . . . 0.0 109.613 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.06 94.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.615 -0.678 . . . . 0.0 111.606 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -59.99 -19.66 53.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.583 -1.323 . . . . 0.0 110.949 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.89 -32.35 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.09 -39.56 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.557 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.3 tp -59.98 -38.63 83.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.35 -43.65 76.03 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.1 -42.84 95.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.075 -1.25 . . . . 0.0 109.491 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.0 -39.93 87.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.15 -0.969 . . . . 0.0 108.827 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.86 -37.82 82.31 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.5 t -67.34 -26.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.217 -0.927 . . . . 0.0 110.956 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.0 12.59 10.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.973 -1.079 . . . . 0.0 111.109 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 47.81 38.83 9.43 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.614 -1.304 . . . . 0.0 110.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 59.93 20.01 9.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.676 -0.64 . . . . 0.0 110.64 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -66.96 107.02 2.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.634 -1.291 . . . . 0.0 108.235 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.82 -40.73 95.68 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.31 -0.869 . . . . 0.0 112.699 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.18 -39.21 82.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.435 -1.415 . . . . 0.0 109.578 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.59 -48.85 73.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.086 -1.009 . . . . 0.0 109.729 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -59.99 -47.53 85.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 110.423 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.87 -47.42 80.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.409 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.6 tp -69.13 -46.56 67.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.015 -1.053 . . . . 0.0 110.72 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.46 -47.96 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.004 -1.06 . . . . 0.0 110.265 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.88 -26.8 64.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -80.37 -33.33 37.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 111.263 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -132.24 -27.4 1.8 Allowed 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.549 -1.344 . . . . 0.0 111.878 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.67 13.85 26.83 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.76 1.68 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.105 -1.233 . . . . 0.0 109.019 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.05 171.76 9.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.996 -1.065 . . . . 0.0 109.87 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.89 74.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.569 -0.707 . . . . 0.0 110.704 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.69 -40.14 69.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.916 -1.115 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' B' ' 30' ' ' LEU . 96.9 mt-30 -65.46 -39.72 92.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.451 -0.78 . . . . 0.0 109.795 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.4 m -63.17 -39.99 96.25 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.611 -0.68 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.46 -38.25 83.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 110.228 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -67.98 -39.76 83.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.485 -1.385 . . . . 0.0 110.87 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -40.04 81.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.775 -1.203 . . . . 0.0 110.209 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.35 -60.34 4.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.66 -1.275 . . . . 0.0 110.477 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.68 -32.03 77.31 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -70.47 -47.61 59.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.069 -1.253 . . . . 0.0 110.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.111 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -62.22 -40.1 95.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.401 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 94.9 mt-10 -69.97 -38.43 76.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.997 -1.064 . . . . 0.0 111.229 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.1 t90 -61.42 -45.05 95.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.515 -1.366 . . . . 0.0 109.197 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD11 ' B' ' 46' ' ' LEU . 68.0 m -61.56 -39.95 92.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.515 -0.741 . . . . 0.0 110.221 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -58.84 -29.42 66.91 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.079 -1.013 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.44 -34.81 11.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.216 -0.927 . . . . 0.0 111.464 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 83.5 m-85 -109.79 -11.0 14.75 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.231 -0.918 . . . . 0.0 113.374 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp . . . . . 0 N--CA 1.504 2.23 0 O-C-N 120.288 -1.507 . . . . 0.0 109.442 -179.627 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -70.04 -77.47 0.08 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.334 -0.854 . . . . 0.0 109.331 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -74.43 153.85 39.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.531 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.9 m -78.31 166.82 22.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.339 -0.851 . . . . 0.0 109.443 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -58.48 -19.6 38.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.619 -0.675 . . . . 0.0 110.374 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.32 -39.13 92.01 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.974 -1.078 . . . . 0.0 109.671 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -58.25 -50.59 73.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 0.0 110.36 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -33.06 71.6 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 110.088 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.24 -39.47 75.01 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.0 t80 -67.93 -41.05 83.19 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.14 -0.975 . . . . 0.0 110.864 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.9 m -82.58 14.59 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.974 -1.078 . . . . 0.0 109.942 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.69 -6.89 9.65 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.486 -0.759 . . . . 0.0 110.692 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.25 151.92 32.43 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 120.834 -1.166 . . . . 0.0 109.755 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.33 156.58 0.53 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.824 1.683 . . . . 0.0 111.666 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.439 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -90.14 -24.52 21.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.048 -1.032 . . . . 0.0 109.618 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.23 -138.23 39.96 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.64 32.24 4.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.479 -1.012 . . . . 0.0 110.346 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 149.88 83.14 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.09 157.33 62.23 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.384 2.056 . . . . 0.0 112.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.3 p -55.49 -45.5 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.532 -0.73 . . . . 0.0 110.321 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.93 -3.79 1.34 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.5 t -81.53 -23.02 37.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.843 -1.387 . . . . 0.0 108.74 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.98 139.78 58.8 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.319 -0.863 . . . . 0.0 109.139 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 136.99 57.2 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.739 0.781 . . . . 0.0 110.14 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.45 53.26 Favored Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.93 119.87 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.168 -1.196 . . . . 0.0 108.51 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.03 176.13 37.21 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.747 -1.221 . . . . 0.0 110.055 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.06 -39.99 75.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.671 -0.9 . . . . 0.0 110.299 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.92 -42.79 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.638 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 27' ' ' GLY . 93.3 mt -67.37 -38.93 85.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.1 -39.96 96.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.95 -40.03 96.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.241 -1.152 . . . . 0.0 111.143 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.57 -43.41 76.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.533 -1.355 . . . . 0.0 109.781 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.24 -39.95 96.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 108.73 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -41.36 91.79 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.726 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.49 -21.55 66.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.94 . . . . 0.0 109.461 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH1' HG23 ' A' ' 66' ' ' THR . 46.9 mtp180 -90.9 4.48 51.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.27 -0.894 . . . . 0.0 111.021 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.86 45.03 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 120.931 -1.106 . . . . 0.0 111.984 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.84 72.32 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.857 -1.378 . . . . 0.0 107.697 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.05 -9.7 59.72 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.971 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.08 157.89 45.68 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.949 -1.094 . . . . 0.0 110.489 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.44 91.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.678 -0.639 . . . . 0.0 112.636 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -59.91 -18.41 44.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.381 -1.449 . . . . 0.0 111.011 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -77.2 -32.06 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.94 -37.02 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.439 HD22 ' CE ' ' A' ' 15' ' ' MET . 16.6 tp -60.0 -39.0 84.26 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.57 98.43 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.97 -41.84 92.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.411 . . . . 0.0 108.751 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.07 -40.9 91.1 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.11 -37.69 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.57 -27.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.456 -0.777 . . . . 0.0 110.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.72 13.91 13.11 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.109 -0.994 . . . . 0.0 110.218 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 47.25 40.48 10.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.826 -1.171 . . . . 0.0 110.313 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.95 20.82 9.85 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.54 -0.725 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.06 112.31 4.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.447 -1.408 . . . . 0.0 108.659 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 86.5 tt0 -66.27 -41.49 89.79 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.423 -0.798 . . . . 0.0 112.87 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.67 -39.53 76.96 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.84 -1.163 . . . . 0.0 110.394 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.57 -39.26 77.47 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.081 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.62 -47.53 81.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 0.0 109.611 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.6 mtt180 -60.12 -47.38 86.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.925 . . . . 0.0 110.879 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.75 -38.98 93.13 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.72 -1.238 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.6 t90 -64.42 -48.08 76.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 111.171 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.93 -46.25 75.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.911 -1.118 . . . . 0.0 110.642 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.18 -46.79 89.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.078 -1.014 . . . . 0.0 110.096 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.75 -27.79 65.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.594 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.458 HG23 ' NH1' ' A' ' 37' ' ' ARG . 96.6 m -75.97 -37.39 58.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.285 -0.884 . . . . 0.0 110.736 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.0 p -131.43 -28.56 1.86 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.607 -1.308 . . . . 0.0 112.249 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.0 16.75 12.87 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 151.79 2.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -1.086 . . . . 0.0 110.151 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -91.19 170.11 10.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.324 -0.86 . . . . 0.0 109.704 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.38 73.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.0 110.701 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -70.92 -43.41 68.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.799 -1.188 . . . . 0.0 110.599 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.32 -31.71 72.18 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -68.69 -37.63 79.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.056 -1.028 . . . . 0.0 109.814 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.63 -39.1 87.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.017 -1.052 . . . . 0.0 110.192 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.44 -39.92 85.41 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.564 -1.335 . . . . 0.0 110.755 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.98 75.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.761 -1.212 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.4 -60.06 4.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.653 -1.279 . . . . 0.0 110.11 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.41 -33.32 84.23 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.32 -46.56 73.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.747 -1.443 . . . . 0.0 109.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.03 -39.11 75.95 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.735 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -59.99 -43.42 95.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.277 -0.889 . . . . 0.0 110.475 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' O ' ' A' ' 79' ' ' GLY . 1.1 mp0 -70.61 -37.39 73.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.107 -0.996 . . . . 0.0 110.902 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.561 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.3 t90 -60.07 -44.75 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.424 -1.422 . . . . 0.0 108.356 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -39.98 93.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.547 -0.721 . . . . 0.0 109.367 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.98 -33.89 72.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.486 -0.759 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.25 -39.07 18.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.13 -0.981 . . . . 0.0 110.626 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.165 -0.96 . . . . 0.0 110.643 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.279 -179.78 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttm . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -70.07 -77.56 0.08 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.263 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.7 p -74.38 153.75 39.13 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.319 -0.863 . . . . 0.0 109.573 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 31.9 m -78.22 166.79 22.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.233 -0.917 . . . . 0.0 109.46 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -58.47 -19.52 37.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.678 -0.639 . . . . 0.0 110.488 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.44 -39.08 92.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.99 -1.069 . . . . 0.0 109.648 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -58.25 -50.61 72.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.133 -0.979 . . . . 0.0 110.405 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -32.98 71.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.031 -1.043 . . . . 0.0 110.152 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.33 -39.44 74.74 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.323 -0.86 . . . . 0.0 110.367 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.0 t80 -67.9 -41.01 83.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.173 -0.955 . . . . 0.0 110.886 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -82.72 14.77 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.854 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.78 -7.0 9.61 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.518 -0.739 . . . . 0.0 110.619 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.16 151.91 32.63 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.75 -1.219 . . . . 0.0 109.815 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.35 156.67 0.53 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.856 1.704 . . . . 0.0 111.675 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.445 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -90.17 -24.53 21.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.027 -1.046 . . . . 0.0 109.563 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.05 -138.23 39.29 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.53 32.26 4.19 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.54 -0.976 . . . . 0.0 110.328 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.62 149.91 82.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.988 -1.07 . . . . 0.0 109.168 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.09 157.42 61.79 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.336 2.024 . . . . 0.0 112.666 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.498 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.47 -45.55 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.553 -0.717 . . . . 0.0 110.32 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.498 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.87 -3.78 1.32 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.5 t -81.67 -22.86 37.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.828 -1.395 . . . . 0.0 108.721 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.21 139.74 58.8 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 136.97 57.23 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.667 0.746 . . . . 0.0 110.174 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.75 -19.32 53.89 Favored Glycine 0 N--CA 1.498 2.784 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.97 119.89 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.152 -1.205 . . . . 0.0 108.548 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.424 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.03 176.15 37.23 Favored Glycine 0 N--CA 1.492 2.406 0 O-C-N 120.739 -1.226 . . . . 0.0 110.061 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.03 -39.96 75.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.61 -0.935 . . . . 0.0 110.422 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.88 -42.95 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.924 -1.11 . . . . 0.0 109.64 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.424 HD12 ' H ' ' B' ' 27' ' ' GLY . 93.3 mt -67.12 -39.06 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.361 -0.837 . . . . 0.0 109.683 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.93 96.5 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.04 -40.01 96.45 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.276 -1.132 . . . . 0.0 111.138 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.43 -43.47 77.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.426 -1.421 . . . . 0.0 109.847 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.23 -39.97 96.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 108.752 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.98 -41.23 91.54 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.58 -21.61 66.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.275 -0.891 . . . . 0.0 109.454 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.464 ' NH1' HG23 ' B' ' 66' ' ' THR . 46.9 mtp180 -90.81 4.57 51.36 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.298 -0.876 . . . . 0.0 111.142 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.94 45.16 Favored Glycine 0 N--CA 1.503 3.121 0 O-C-N 120.926 -1.109 . . . . 0.0 111.951 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.97 72.36 1.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.744 -1.445 . . . . 0.0 107.684 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.17 -9.49 59.72 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.938 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.22 157.85 45.74 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.026 -1.046 . . . . 0.0 110.555 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.39 91.62 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -60.03 -18.32 45.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.46 -1.4 . . . . 0.0 111.001 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.16 -32.03 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.99 -36.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' B' ' 15' ' ' MET . 16.6 tp -60.04 -39.12 84.84 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.67 98.31 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.95 -41.84 92.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.988 -1.301 . . . . 0.0 108.655 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.08 -40.83 90.92 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.18 -37.75 81.3 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.46 -27.36 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.438 -0.789 . . . . 0.0 110.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.87 14.13 12.82 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.092 -1.005 . . . . 0.0 110.284 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 47.15 40.46 10.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.822 -1.174 . . . . 0.0 110.361 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 60.11 20.51 9.75 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.567 -0.708 . . . . 0.0 110.612 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -67.84 112.3 4.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.551 -1.343 . . . . 0.0 108.606 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 86.5 tt0 -66.35 -41.53 89.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.524 -0.735 . . . . 0.0 112.822 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.63 -39.43 77.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.816 -1.178 . . . . 0.0 110.374 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.73 -39.17 76.97 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.07 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.68 -47.54 80.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.653 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.6 mtt180 -59.94 -47.72 84.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.876 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.47 -38.97 93.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.686 -1.259 . . . . 0.0 109.48 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.435 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.98 -46.3 75.03 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.925 -1.109 . . . . 0.0 110.663 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.12 -46.86 88.85 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.112 -0.992 . . . . 0.0 110.131 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -69.52 -28.01 65.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 109.675 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.464 HG23 ' NH1' ' B' ' 37' ' ' ARG . 96.6 m -75.93 -37.4 58.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.338 -0.851 . . . . 0.0 110.772 -178.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.29 -28.73 1.87 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.606 -1.309 . . . . 0.0 112.355 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.8 12.63 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.85 3.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -1.138 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.17 170.07 10.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.25 -0.906 . . . . 0.0 109.657 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.18 72.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.487 -0.758 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -71.12 -43.27 67.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 0.0 110.585 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.4 -31.75 72.18 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.17 -0.956 . . . . 0.0 110.341 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.6 p -68.68 -37.62 79.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.062 -1.024 . . . . 0.0 109.811 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.69 -38.92 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 110.289 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.6 -40.01 84.75 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.656 -1.277 . . . . 0.0 110.684 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -70.0 -39.94 75.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.873 -1.142 . . . . 0.0 110.519 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -60.38 -60.02 4.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.661 -1.274 . . . . 0.0 110.206 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.447 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.56 -33.07 83.57 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -67.5 -46.6 72.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.788 -1.419 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.03 -39.15 75.94 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.753 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -60.0 -43.12 95.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.158 -0.964 . . . . 0.0 110.494 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 79' ' ' GLY . 0.9 OUTLIER -71.06 -37.2 72.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 110.654 -179.21 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.559 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 72.1 t90 -60.13 -44.72 94.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.366 -1.459 . . . . 0.0 108.314 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -40.01 93.62 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.609 -0.682 . . . . 0.0 109.288 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -33.76 72.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.779 . . . . 0.0 109.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.35 -39.15 17.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.16 -0.962 . . . . 0.0 110.552 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.7 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.136 -0.977 . . . . 0.0 110.606 -178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 109.312 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.191 0.519 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 p -80.12 160.53 25.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.85 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p -76.77 162.7 27.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.409 -0.807 . . . . 0.0 109.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.5 t -64.28 150.75 45.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -0.8 . . . . 0.0 108.906 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -59.0 -19.46 43.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.507 -0.745 . . . . 0.0 110.551 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.13 -37.3 87.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.999 -1.063 . . . . 0.0 109.362 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.533 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.4 t60 -59.27 -50.3 74.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 110.422 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 8' ' ' ARG . 52.9 mtm-85 -70.08 -31.09 68.5 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.199 -0.938 . . . . 0.0 109.781 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.92 -39.51 63.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -66.32 -39.99 89.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.028 -1.045 . . . . 0.0 109.978 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.08 18.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.021 -1.049 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -7.21 9.95 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.58 -0.7 . . . . 0.0 110.451 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.63 153.32 31.84 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.196 . . . . 0.0 109.894 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.25 158.91 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.85 1.7 . . . . 0.0 111.722 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.608 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.9 ptp -88.47 -20.44 25.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.916 -1.115 . . . . 0.0 109.066 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.58 13.72 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.88 29.52 6.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.594 -0.945 . . . . 0.0 110.162 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -60.93 149.48 80.94 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.929 -1.107 . . . . 0.0 108.717 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -67.38 158.68 55.87 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.491 2.127 . . . . 0.0 112.779 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.2 p -55.67 -42.64 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.681 -0.637 . . . . 0.0 111.075 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.38 -2.65 3.26 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 t -82.67 -23.74 34.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.847 -1.384 . . . . 0.0 109.344 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.45 138.87 58.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.357 -0.84 . . . . 0.0 109.38 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 135.89 56.11 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.663 0.744 . . . . 0.0 109.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -19.56 48.12 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mm -99.5 120.82 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.227 -1.16 . . . . 0.0 108.37 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.79 175.34 35.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -40.01 82.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.157 . . . . 0.0 110.201 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -46.89 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.97 -1.081 . . . . 0.0 109.586 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.1 -37.97 84.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.02 95.09 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.98 -39.42 93.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.18 . . . . 0.0 110.6 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.72 -45.43 82.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.724 -1.235 . . . . 0.0 109.671 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.43 -37.35 85.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.899 -1.126 . . . . 0.0 108.866 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -40.48 89.14 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.912 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -19.19 64.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 108.925 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -90.13 1.25 56.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.521 -0.737 . . . . 0.0 110.602 -178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.51 45.73 Favored Glycine 0 N--CA 1.504 3.215 0 O-C-N 120.926 -1.109 . . . . 0.0 112.148 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.4 74.08 1.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.82 -1.4 . . . . 0.0 107.928 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -82.61 -10.73 58.83 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.932 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -135.78 156.4 48.87 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.074 -1.016 . . . . 0.0 110.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.22 95.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.705 -0.622 . . . . 0.0 112.677 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.21 -19.96 62.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.452 -1.405 . . . . 0.0 111.259 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.35 -31.91 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.15 -38.28 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.99 -40.0 87.69 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.36 84.14 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.2 -43.1 96.19 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.958 -1.319 . . . . 0.0 109.236 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.03 -39.96 87.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.382 -0.824 . . . . 0.0 108.891 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.7 -37.42 82.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.643 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.59 -28.23 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.55 13.13 12.73 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.084 -1.01 . . . . 0.0 110.451 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.23 40.45 10.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.654 -1.279 . . . . 0.0 110.533 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.4 20.01 9.64 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.568 -0.708 . . . . 0.0 111.039 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.02 107.85 3.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.492 -1.38 . . . . 0.0 108.305 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.71 -40.03 95.78 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.23 -39.99 78.21 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.523 -1.361 . . . . 0.0 110.342 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.89 -38.89 76.47 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.94 -48.93 74.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.97 -46.77 88.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 110.797 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.19 -37.12 85.98 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.815 -1.178 . . . . 0.0 108.973 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -64.44 -46.32 83.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.927 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 tp -69.33 -47.53 64.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.855 -1.153 . . . . 0.0 110.688 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.95 -49.49 77.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.313 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -69.76 -25.7 63.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.375 -0.828 . . . . 0.0 109.711 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 m -80.59 -34.64 35.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 0.0 111.424 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.3 p -132.99 -29.64 1.44 Allowed 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.464 -1.398 . . . . 0.0 112.004 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.5 14.42 18.05 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.09 153.45 3.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.903 -1.351 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.22 172.98 8.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.165 -0.959 . . . . 0.0 109.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.73 72.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.494 -0.754 . . . . 0.0 111.641 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -71.31 -42.93 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.43 -1.419 . . . . 0.0 110.722 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -66.84 -35.48 80.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.076 -1.015 . . . . 0.0 110.576 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 t -67.17 -38.6 85.71 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.971 -1.081 . . . . 0.0 110.246 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.97 -37.29 79.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.81 -1.181 . . . . 0.0 109.853 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.73 -37.61 76.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.617 -1.302 . . . . 0.0 110.735 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.95 -41.23 78.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.654 -1.279 . . . . 0.0 109.702 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.72 -59.57 5.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.694 -1.254 . . . . 0.0 109.843 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.27 77.98 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.16 -49.98 62.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.07 -1.253 . . . . 0.0 109.6 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.562 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.04 -42.98 95.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 109.984 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 92.5 mt-10 -69.99 -37.55 75.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -60.02 -42.97 95.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.447 -1.408 . . . . 0.0 107.547 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.66 -40.09 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.747 . . . . 0.0 109.258 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.27 -35.09 74.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 0.0 110.239 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -36.78 18.45 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.113 -0.992 . . . . 0.0 110.372 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.2 m-85 -105.81 -86.92 0.47 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.354 -178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.202 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.231 0.539 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 36.9 p -79.99 160.44 25.9 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.882 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -76.62 162.5 27.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.0 109.595 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 35.4 t -64.12 150.82 44.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.384 -0.823 . . . . 0.0 108.951 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -59.19 -19.35 44.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.588 -0.695 . . . . 0.0 110.49 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.16 -37.24 86.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 109.439 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.53 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.7 t60 -59.21 -50.54 73.63 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 110.417 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' B' ' 8' ' ' ARG . 53.0 mtm-85 -69.96 -31.16 68.75 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.304 -0.872 . . . . 0.0 109.827 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.9 -39.41 63.9 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.401 -0.812 . . . . 0.0 110.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.43 -40.0 89.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.83 18.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.976 -1.077 . . . . 0.0 109.383 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.85 -7.05 10.04 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.482 -0.761 . . . . 0.0 110.467 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.78 153.4 31.7 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.799 -1.188 . . . . 0.0 109.865 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.32 158.88 0.19 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.896 1.731 . . . . 0.0 111.718 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.615 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.8 ptp -88.4 -20.6 25.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.977 -1.077 . . . . 0.0 109.06 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -140.4 15.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -105.14 29.53 6.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.986 . . . . 0.0 110.14 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -60.96 149.27 81.87 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 120.999 -1.063 . . . . 0.0 108.827 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.3 158.59 56.28 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.502 2.135 . . . . 0.0 112.831 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.421 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.3 p -55.45 -42.91 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.688 -0.632 . . . . 0.0 111.06 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.421 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -61.08 -2.92 3.08 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.066 -1.021 . . . . 0.0 110.614 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -82.46 -23.67 34.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.751 -1.44 . . . . 0.0 109.411 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.45 138.79 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.458 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 136.19 56.46 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.645 0.736 . . . . 0.0 109.873 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.99 -19.47 49.21 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -99.66 120.83 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.179 -1.189 . . . . 0.0 108.381 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.68 175.38 35.58 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.62 -40.07 82.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.259 -1.142 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.58 -46.76 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.929 -1.107 . . . . 0.0 109.615 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -37.83 83.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.467 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.1 95.14 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.9 -39.3 93.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.338 -1.095 . . . . 0.0 110.621 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.84 -45.47 82.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.641 -1.287 . . . . 0.0 109.591 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.47 -37.31 85.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.946 -1.096 . . . . 0.0 108.86 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.02 -40.57 89.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 0.0 109.948 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.36 -19.02 64.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.23 -0.918 . . . . 0.0 108.971 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -90.22 1.15 56.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 110.598 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.49 45.38 Favored Glycine 0 N--CA 1.504 3.208 0 O-C-N 120.942 -1.099 . . . . 0.0 112.076 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.29 73.98 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.837 -1.39 . . . . 0.0 107.911 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -82.48 -11.03 58.76 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.914 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -135.52 156.35 49.03 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.032 -1.042 . . . . 0.0 110.057 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.26 95.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.669 -0.645 . . . . 0.0 112.644 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.14 -19.95 62.11 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.429 -1.419 . . . . 0.0 111.349 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -77.26 -32.16 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.96 -38.35 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.2 tp -59.98 -39.93 87.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.41 -44.02 85.04 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.58 -42.99 97.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.915 -1.344 . . . . 0.0 109.254 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.94 -39.99 87.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.473 -0.767 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.73 -37.23 81.91 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.476 -0.89 . . . . 0.0 108.643 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.81 -28.33 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.047 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.49 13.07 12.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.058 -1.026 . . . . 0.0 110.384 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.24 40.56 10.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.698 -1.251 . . . . 0.0 110.513 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.47 20.03 9.75 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.506 -0.746 . . . . 0.0 111.06 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -70.17 107.58 3.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.453 -1.404 . . . . 0.0 108.438 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.56 -39.99 95.83 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.25 -40.04 78.11 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.468 -1.395 . . . . 0.0 110.436 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.8 -39.09 76.77 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.002 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.8 -48.93 74.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 109.524 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.01 -46.48 89.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.844 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.47 -37.06 85.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.736 -1.228 . . . . 0.0 108.977 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.46 -46.38 83.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.29 -47.57 64.19 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.853 -1.155 . . . . 0.0 110.627 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.98 -49.55 77.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.032 -1.043 . . . . 0.0 110.224 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -69.67 -25.82 64.08 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.373 -0.829 . . . . 0.0 109.708 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.9 m -80.5 -34.71 35.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 111.501 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 p -132.97 -29.6 1.44 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.439 -1.413 . . . . 0.0 111.924 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.54 14.17 18.64 Favored Glycine 0 N--CA 1.501 3.006 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.99 153.37 3.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.913 -1.346 . . . . 0.0 109.815 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.11 172.96 8.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.19 -0.944 . . . . 0.0 109.821 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.84 73.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.545 -0.722 . . . . 0.0 111.652 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -71.34 -42.89 67.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.411 -1.431 . . . . 0.0 110.675 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -66.88 -35.34 79.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.959 -1.088 . . . . 0.0 110.592 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -67.2 -38.65 85.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.965 -1.084 . . . . 0.0 110.296 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.0 -37.45 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.765 -1.21 . . . . 0.0 109.744 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.52 -37.61 77.19 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.91 -41.29 78.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.673 -1.267 . . . . 0.0 109.732 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.64 -59.59 5.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.765 -1.209 . . . . 0.0 109.779 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -33.07 77.94 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.25 -49.99 62.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.099 -1.236 . . . . 0.0 109.493 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.11 -39.98 75.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 118.979 -1.089 . . . . 0.0 109.639 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -42.95 95.46 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 110.04 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.2 mt-10 -70.03 -37.55 75.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 110.777 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.3 t90 -60.03 -42.93 95.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.575 -1.328 . . . . 0.0 107.657 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.6 -40.08 93.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.588 -0.695 . . . . 0.0 109.284 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.29 -35.18 74.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.489 -0.757 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.67 -36.72 18.57 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.216 -0.928 . . . . 0.0 110.338 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.3 m-85 -105.92 -86.69 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.213 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.3 p -87.81 -0.01 56.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.148 -0.97 . . . . 0.0 108.985 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -71.94 159.65 33.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.836 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 t -78.4 164.8 24.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 109.691 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.97 -25.37 65.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.827 -0.545 . . . . 0.0 110.145 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -60.46 -35.56 76.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.966 . . . . 0.0 110.267 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.467 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 45.9 t60 -59.83 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 110.147 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 8' ' ' ARG . 51.8 mtt-85 -69.99 -34.26 73.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.913 . . . . 0.0 110.278 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.1 -37.28 75.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.314 -0.866 . . . . 0.0 109.653 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -62.89 -46.56 87.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.502 -0.749 . . . . 0.0 109.832 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 m -81.58 14.99 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.316 -0.865 . . . . 0.0 110.502 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.95 -9.45 14.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.304 -0.872 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.41 153.81 29.74 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.93 -1.106 . . . . 0.0 109.75 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.69 160.62 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.875 1.716 . . . . 0.0 111.622 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.46 -25.03 20.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 109.767 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.64 -136.84 31.89 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.58 29.91 6.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.448 -1.031 . . . . 0.0 110.648 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -60.49 148.54 80.41 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 120.747 -1.221 . . . . 0.0 108.269 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.34 155.89 67.8 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.12 1.88 . . . . 0.0 112.538 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -53.81 -46.99 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.621 -0.674 . . . . 0.0 110.834 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.69 -4.07 0.35 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' VAL . 33.8 t -81.14 -19.98 42.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.725 -1.456 . . . . 0.0 109.183 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.29 138.78 58.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.782 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.22 57.19 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.719 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -20.0 52.18 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mm -98.84 114.09 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.154 -1.204 . . . . 0.0 108.032 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.7 179.54 38.62 Favored Glycine 0 N--CA 1.495 2.6 0 O-C-N 120.594 -1.317 . . . . 0.0 110.205 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.513 -0.992 . . . . 0.0 110.169 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.22 -48.21 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.872 -1.143 . . . . 0.0 109.515 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.39 -37.41 85.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 109.226 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.46 -39.2 94.59 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.96 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -1.071 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -65.84 -47.53 74.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.918 -1.114 . . . . 0.0 109.487 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.39 -39.99 96.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 0.0 109.26 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.07 -41.05 91.58 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.539 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.35 -19.43 65.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.367 -0.833 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -90.26 0.47 57.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 111.073 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.31 4.71 40.74 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.979 -1.075 . . . . 0.0 111.717 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -104.99 73.73 1.07 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.818 -1.401 . . . . 0.0 108.251 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.05 -10.13 59.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.426 -0.796 . . . . 0.0 111.259 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -136.84 157.49 46.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.886 -1.134 . . . . 0.0 110.23 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.53 92.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -59.02 -19.24 41.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.415 -1.428 . . . . 0.0 111.2 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -77.86 -34.26 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.367 . . . . 0.0 107.572 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.93 -34.49 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.06 -42.0 94.81 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -59.96 -45.49 92.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.947 -1.325 . . . . 0.0 109.096 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -39.97 87.79 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.313 -0.867 . . . . 0.0 109.016 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.8 -38.64 80.1 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.43 -26.84 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.235 -0.915 . . . . 0.0 111.171 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.91 15.96 7.68 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.909 -1.12 . . . . 0.0 110.642 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? 50.8 33.22 8.16 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.027 -1.045 . . . . 0.0 110.835 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.486 -0.758 . . . . 0.0 111.013 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.22 117.32 10.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.417 -1.427 . . . . 0.0 108.46 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.06 -40.55 94.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.361 -0.837 . . . . 0.0 113.198 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.93 -39.27 76.22 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.311 -1.493 . . . . 0.0 110.675 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.93 -39.32 76.18 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.199 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.44 -49.52 71.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.897 . . . . 0.0 109.53 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.99 -47.19 86.83 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.74 -37.11 86.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.978 -1.076 . . . . 0.0 109.279 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -67.94 -42.78 80.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.38 -46.29 67.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.07 . . . . 0.0 110.699 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.08 -48.9 78.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 0.0 110.533 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.85 -24.87 63.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 0.0 109.736 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.1 m -80.2 -34.22 37.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.163 -0.961 . . . . 0.0 110.934 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -133.06 -27.86 1.59 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.589 -1.319 . . . . 0.0 111.861 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.85 13.81 26.57 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.7 154.29 2.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.105 -1.232 . . . . 0.0 109.084 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -92.52 173.61 7.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.048 . . . . 0.0 110.343 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.02 74.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.688 -0.632 . . . . 0.0 110.431 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.76 -40.95 72.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.72 -1.237 . . . . 0.0 110.034 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.39 -38.63 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.352 -0.842 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -67.63 -38.07 83.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.184 -0.947 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -37.55 80.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.731 -1.231 . . . . 0.0 109.481 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.82 -39.94 83.86 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.709 -1.244 . . . . 0.0 110.785 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.8 -40.01 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.806 -1.184 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 66.4 t80 -59.48 -60.49 3.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.621 -1.3 . . . . 0.0 110.322 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.52 -31.55 74.99 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.53 -49.85 56.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.94 -1.329 . . . . 0.0 109.746 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.35 -40.04 70.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.97 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 82' ' ' ARG . 36.0 ttt-85 -62.94 -40.55 98.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.929 -1.107 . . . . 0.0 110.461 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 93.5 mt-10 -70.07 -38.5 75.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.165 -0.959 . . . . 0.0 110.544 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 89.6 t90 -62.39 -45.62 92.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.77 -1.206 . . . . 0.0 109.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.23 -40.1 89.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.332 -0.855 . . . . 0.0 109.571 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.2 -29.02 65.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 109.726 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.18 -34.46 12.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.202 -0.936 . . . . 0.0 110.974 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 -111.64 -9.99 14.12 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.504 2.249 0 O-C-N 120.156 -1.59 . . . . 0.0 109.488 -179.52 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 77.3 p -87.83 0.03 56.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.289 -0.882 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 44.6 p -71.94 159.7 33.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 108.941 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 37.1 t -78.39 164.93 24.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.204 -0.935 . . . . 0.0 109.657 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.01 -25.41 65.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.896 -0.502 . . . . 0.0 110.156 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.49 -35.61 76.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.059 -1.025 . . . . 0.0 110.258 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 46.3 t60 -59.76 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.746 -1.221 . . . . 0.0 110.102 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 8' ' ' ARG . 51.8 mtt-85 -69.91 -34.32 73.34 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 110.255 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.08 -37.44 75.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.7 -46.68 87.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.805 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.67 15.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.253 -0.904 . . . . 0.0 110.474 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.97 -9.62 14.0 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.37 153.88 29.88 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.01 -1.056 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.68 160.69 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.908 1.739 . . . . 0.0 111.565 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -90.6 -24.84 20.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.013 -1.054 . . . . 0.0 109.661 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.83 30.59 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.49 29.93 6.12 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.406 -1.055 . . . . 0.0 110.593 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -60.52 148.68 80.31 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.756 -1.215 . . . . 0.0 108.271 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 155.93 67.83 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.14 1.893 . . . . 0.0 112.478 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.547 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.5 p -53.78 -47.07 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.57 -0.706 . . . . 0.0 110.823 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.547 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -54.73 -3.93 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.0 t -81.32 -19.9 41.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.857 -1.378 . . . . 0.0 109.089 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.4 138.68 58.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.773 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.21 57.18 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.541 0.686 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 -19.98 52.3 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mm -98.93 114.19 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.111 -1.229 . . . . 0.0 107.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.69 179.59 38.64 Favored Glycine 0 N--CA 1.495 2.592 0 O-C-N 120.625 -1.297 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.537 -0.978 . . . . 0.0 110.119 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.28 -48.19 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.88 -1.137 . . . . 0.0 109.527 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.35 -37.48 85.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.264 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.4 -39.21 94.51 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.98 -39.99 95.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -1.043 . . . . 0.0 110.132 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -65.94 -47.43 74.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.784 -1.198 . . . . 0.0 109.428 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 -39.96 95.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.206 -0.934 . . . . 0.0 109.164 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.06 -41.11 91.63 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.519 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.28 -19.5 65.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -90.26 0.59 57.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.526 -0.734 . . . . 0.0 111.018 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.27 4.68 40.86 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 120.819 -1.176 . . . . 0.0 111.706 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.96 73.7 1.08 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.79 -1.418 . . . . 0.0 108.284 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.16 -10.01 59.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.439 -0.788 . . . . 0.0 111.315 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.86 157.48 46.65 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.895 -1.128 . . . . 0.0 110.232 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.43 92.28 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -58.96 -19.41 42.87 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.369 -1.457 . . . . 0.0 111.1 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -77.9 -34.16 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.519 -1.363 . . . . 0.0 107.514 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.99 -34.46 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.01 -39.29 85.3 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.07 94.5 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.98 -45.53 92.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.943 -1.328 . . . . 0.0 109.021 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.386 -0.821 . . . . 0.0 109.06 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.75 -38.73 80.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.727 -0.789 . . . . 0.0 108.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.39 -26.74 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -89.03 16.12 7.58 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.868 -1.145 . . . . 0.0 110.579 -178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 50.56 33.34 7.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.913 -1.117 . . . . 0.0 110.813 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.0 19.98 9.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.612 -0.68 . . . . 0.0 111.024 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.24 117.28 10.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.358 -1.464 . . . . 0.0 108.434 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.98 -40.75 95.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.397 -0.814 . . . . 0.0 113.16 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.66 -39.32 77.13 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.375 -1.453 . . . . 0.0 110.776 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.97 -39.2 76.11 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.282 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -64.54 -49.47 71.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 109.53 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.1 -47.32 86.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.415 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.57 -37.12 86.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.053 -1.029 . . . . 0.0 109.314 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -68.03 -42.63 80.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.55 -46.3 66.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.902 -1.124 . . . . 0.0 110.578 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.0 -48.93 78.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.038 -1.039 . . . . 0.0 110.562 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.82 -24.91 63.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.697 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -80.25 -34.27 37.26 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.199 -0.938 . . . . 0.0 110.947 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.95 -27.93 1.6 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.58 -1.325 . . . . 0.0 111.783 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.9 13.91 26.25 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.76 154.33 2.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.019 -1.283 . . . . 0.0 109.107 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -92.6 173.55 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.045 -1.034 . . . . 0.0 110.379 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.99 74.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.631 -0.668 . . . . 0.0 110.536 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.8 -40.93 72.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.712 -1.243 . . . . 0.0 110.049 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.5 -38.46 84.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.419 -0.801 . . . . 0.0 110.892 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -67.73 -38.06 83.05 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.13 -0.981 . . . . 0.0 110.447 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.13 -37.35 79.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.776 -1.202 . . . . 0.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.01 -40.01 83.06 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.776 -1.203 . . . . 0.0 110.731 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.67 -40.13 80.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.814 -1.179 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.44 -60.4 3.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.656 -1.277 . . . . 0.0 110.362 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -31.58 75.55 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -68.52 -49.76 57.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.017 -1.284 . . . . 0.0 109.753 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -71.34 -40.07 70.93 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.945 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' B' ' 82' ' ' ARG . 35.9 ttt-85 -63.04 -40.55 98.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.989 -1.069 . . . . 0.0 110.418 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 93.4 mt-10 -69.95 -38.53 76.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.103 -0.998 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 89.8 t90 -62.48 -45.56 92.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.681 -1.262 . . . . 0.0 109.259 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.15 -40.09 88.65 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.258 -0.901 . . . . 0.0 109.594 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.29 -28.92 65.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.16 -34.45 12.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.203 -0.936 . . . . 0.0 111.015 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -111.63 -10.08 14.12 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -176.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.157 -1.589 . . . . 0.0 109.464 -179.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.293 0.568 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 m -90.46 133.02 35.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.286 -0.884 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.2 p -74.68 157.33 35.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.8 p -79.45 169.3 18.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.204 -0.935 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.96 -23.94 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.745 -0.597 . . . . 0.0 110.687 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.8 -38.42 88.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.806 -1.184 . . . . 0.0 108.909 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.99 -52.4 65.53 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.166 -0.959 . . . . 0.0 110.284 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 98.2 mtt180 -69.95 -33.31 71.95 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.964 -1.085 . . . . 0.0 110.311 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -64.59 -39.98 94.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.949 -1.094 . . . . 0.0 108.539 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.12 -46.8 85.61 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.776 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' CA ' ' A' ' 84' ' ' TRP . 34.1 m -93.06 7.79 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 120.928 -1.108 . . . . 0.0 111.4 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -98.09 -20.73 17.17 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.945 -1.097 . . . . 0.0 108.808 177.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -149.47 151.17 32.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.26 160.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.786 1.658 . . . . 0.0 111.85 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -89.31 -27.37 20.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.976 . . . . 0.0 109.457 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.91 -139.95 35.65 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.08 31.4 4.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.486 -1.008 . . . . 0.0 110.058 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.01 148.09 78.27 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.069 -1.019 . . . . 0.0 108.404 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.77 155.68 65.98 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.453 2.102 . . . . 0.0 112.808 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG23 HG21 ' A' ' 45' ' ' VAL . 7.6 p -53.08 -39.0 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.598 -0.689 . . . . 0.0 110.4 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -64.35 -3.4 9.26 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -80.8 -17.46 50.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.041 -1.27 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 81' ' ' LEU . 90.8 mt -64.28 133.16 52.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.36 -0.838 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 137.43 58.24 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.907 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.3 -20.15 51.06 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -100.01 120.0 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 121.183 -1.187 . . . . 0.0 108.619 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.9 177.0 39.79 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 120.713 -1.242 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -40.02 82.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.606 -0.938 . . . . 0.0 111.097 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -43.76 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.722 -1.236 . . . . 0.0 109.471 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.62 -37.64 82.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.306 -0.872 . . . . 0.0 109.38 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.91 96.19 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -63.66 -38.15 90.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -1.15 . . . . 0.0 110.348 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.87 -44.16 81.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.757 -1.214 . . . . 0.0 109.92 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.21 -39.47 94.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.95 -1.094 . . . . 0.0 109.156 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -42.2 93.88 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.769 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.72 -19.37 65.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 108.839 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' HG2' HH11 ' A' ' 37' ' ' ARG . 34.5 mtt-85 -89.98 1.86 55.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.398 -0.814 . . . . 0.0 110.458 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.59 4.6 49.22 Favored Glycine 0 N--CA 1.502 3.081 0 O-C-N 121.128 -0.983 . . . . 0.0 111.833 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.01 74.3 1.3 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.822 -1.399 . . . . 0.0 108.572 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -82.36 -12.66 57.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.391 -0.818 . . . . 0.0 110.294 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.58 149.86 50.45 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.228 -0.92 . . . . 0.0 109.555 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.04 94.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.54 -0.725 . . . . 0.0 111.22 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -58.86 -18.97 37.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.215 . . . . 0.0 111.327 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.79 -32.61 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.422 -1.424 . . . . 0.0 107.321 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 20' ' ' VAL . 89.2 t -77.91 -34.88 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 21.4 tp -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.05 -41.62 98.08 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.23 -40.16 89.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.921 -1.341 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -38.98 81.65 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.29 -30.49 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.326 -0.859 . . . . 0.0 110.73 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.75 13.8 9.86 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.969 -1.082 . . . . 0.0 110.299 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 49.91 35.83 10.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.892 -1.13 . . . . 0.0 109.745 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 60.11 20.91 10.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.563 -0.711 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -67.57 111.81 4.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.54 -1.35 . . . . 0.0 108.007 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.01 -40.02 94.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.343 -0.848 . . . . 0.0 112.704 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.4 m-20 -67.97 -39.98 83.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.531 -1.356 . . . . 0.0 109.905 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.02 -39.03 76.04 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.415 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.86 -46.35 82.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.6 mtm180 -60.04 -46.44 89.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.036 -1.04 . . . . 0.0 111.313 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -64.47 -36.05 82.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.694 -1.254 . . . . 0.0 109.051 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -62.44 -49.53 75.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 111.4 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -49.24 62.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.005 -1.06 . . . . 0.0 110.59 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.12 -47.21 83.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.933 . . . . 0.0 109.936 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.0 t0 -67.91 -27.6 66.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.535 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 m -78.98 -37.06 40.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 111.472 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.32 -23.59 2.65 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.629 -1.294 . . . . 0.0 112.275 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 13.33 30.31 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 155.43 2.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.188 -1.183 . . . . 0.0 109.448 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -88.01 169.65 11.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.987 -1.071 . . . . 0.0 109.467 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -28.29 69.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.434 -0.791 . . . . 0.0 110.683 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.14 -42.41 72.59 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.807 -1.183 . . . . 0.0 110.402 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.895 . . . . 0.0 110.748 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.26 -39.12 89.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.898 -1.126 . . . . 0.0 110.303 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -59.92 -38.86 83.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.811 -1.181 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.82 -38.21 79.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.866 -1.147 . . . . 0.0 110.568 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.36 -39.91 81.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.823 -1.173 . . . . 0.0 109.496 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.94 -60.41 3.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.026 -1.046 . . . . 0.0 109.975 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.37 -33.23 83.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.0 t -68.77 -49.15 61.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.997 -1.296 . . . . 0.0 109.727 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 23' ' ' LEU . 95.7 mt -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.385 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -62.39 -40.86 97.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 110.275 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.09 -36.69 80.2 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.031 -1.043 . . . . 0.0 109.825 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.501 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 68.0 t90 -59.82 -43.37 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.66 -1.275 . . . . 0.0 107.659 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 m -61.59 -40.63 95.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.418 -0.801 . . . . 0.0 108.84 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.36 -39.56 87.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.49 -38.82 16.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.142 -0.974 . . . . 0.0 110.674 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.53 -85.5 0.47 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.201 -0.937 . . . . 0.0 110.517 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.936 -1.102 . . . . 0.0 109.323 -179.656 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 21.8 m -89.92 132.9 35.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.254 -0.904 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 79.8 p -74.55 157.32 35.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 92.2 p -79.32 169.34 18.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.88 -24.18 66.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.69 -0.631 . . . . 0.0 110.675 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.58 -38.44 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.854 -1.154 . . . . 0.0 109.027 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -59.98 -52.44 65.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.031 -1.043 . . . . 0.0 110.313 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 98.1 mtt180 -70.0 -33.21 71.73 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.978 -1.076 . . . . 0.0 110.241 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.75 -40.13 94.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.972 -1.08 . . . . 0.0 108.392 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.62 -46.93 85.98 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.901 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.443 HG12 ' CA ' ' B' ' 84' ' ' TRP . 34.0 m -93.38 8.34 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.824 -1.172 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -98.39 -20.99 16.83 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.018 -1.051 . . . . 0.0 108.665 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -149.33 151.16 33.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.29 160.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.79 1.66 . . . . 0.0 111.807 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.0 ptp -89.56 -26.92 20.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.131 -0.98 . . . . 0.0 109.509 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.43 -140.23 33.3 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -104.73 31.41 4.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.503 -0.998 . . . . 0.0 110.196 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.98 148.24 77.67 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 120.994 -1.067 . . . . 0.0 108.399 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.73 155.65 66.01 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.426 2.084 . . . . 0.0 112.884 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.449 HG23 HG21 ' B' ' 45' ' ' VAL . 7.6 p -53.08 -39.09 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.68 -0.638 . . . . 0.0 110.307 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -64.3 -3.04 8.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -81.16 -17.62 49.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.328 . . . . 0.0 108.895 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 81' ' ' LEU . 90.5 mt -64.24 133.05 52.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.825 . . . . 0.0 109.57 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.58 136.93 58.19 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.043 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.73 -19.89 51.59 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.14 119.98 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.223 -1.163 . . . . 0.0 108.501 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.82 176.94 39.86 Favored Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.754 -1.216 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.73 -39.96 82.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.919 . . . . 0.0 111.105 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -44.02 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.712 -1.242 . . . . 0.0 109.398 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.43 -37.51 83.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.39 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.03 96.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -63.53 -38.6 91.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.205 -1.174 . . . . 0.0 110.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.11 -39.44 94.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.258 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.848 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.73 -19.48 65.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 0.0 108.805 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.482 HH11 ' HG2' ' B' ' 37' ' ' ARG . 34.4 mtt-85 -90.02 2.52 55.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.442 -0.786 . . . . 0.0 110.413 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.07 4.61 50.85 Favored Glycine 0 N--CA 1.502 3.088 0 C-N-CA 120.224 -0.989 . . . . 0.0 111.868 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.22 74.66 1.3 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.903 -1.351 . . . . 0.0 108.546 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -82.88 -12.36 57.46 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.304 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.7 150.08 50.41 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.228 -0.92 . . . . 0.0 109.558 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.65 92.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.556 -0.715 . . . . 0.0 111.211 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -59.15 -19.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.77 -1.206 . . . . 0.0 111.297 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.67 -32.05 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.517 -1.364 . . . . 0.0 107.408 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.449 HG21 HG23 ' B' ' 20' ' ' VAL . 88.3 t -78.28 -34.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 21.9 tp -59.98 -37.87 80.91 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.77 98.03 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.951 -1.323 . . . . 0.0 109.039 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.96 -39.95 87.36 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -39.46 81.51 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.81 -30.3 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.417 -0.802 . . . . 0.0 110.816 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -88.1 14.33 9.38 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.106 -0.996 . . . . 0.0 110.31 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 49.6 35.87 9.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.839 -1.163 . . . . 0.0 109.638 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 60.03 20.29 9.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.97 111.89 4.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.536 -1.352 . . . . 0.0 107.934 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.15 -40.17 94.0 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.307 -0.87 . . . . 0.0 112.652 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.3 m-20 -67.76 -39.86 84.13 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.404 -1.435 . . . . 0.0 109.969 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.96 -38.98 76.27 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.434 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -65.1 -46.21 81.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.7 mtm180 -59.98 -47.12 87.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.653 -1.279 . . . . 0.0 109.231 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -62.72 -49.25 75.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 111.464 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -68.18 -49.54 60.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.119 -0.988 . . . . 0.0 110.5 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.78 -47.32 84.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.112 -0.993 . . . . 0.0 109.959 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.9 t0 -67.88 -27.6 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -79.03 -37.04 40.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 111.452 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.16 -24.07 2.64 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.64 -1.288 . . . . 0.0 112.288 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.91 13.89 28.23 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.62 155.47 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -1.187 . . . . 0.0 109.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -87.99 169.63 11.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.986 -1.071 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.0 69.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.433 -0.792 . . . . 0.0 110.645 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.34 -42.49 71.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.848 -1.158 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.02 -36.58 82.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 0.0 110.797 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.52 -38.91 88.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.036 -1.04 . . . . 0.0 110.283 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.0 -38.57 83.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.738 -1.226 . . . . 0.0 109.563 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.13 -38.57 78.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.72 -1.238 . . . . 0.0 110.515 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -67.98 -40.05 83.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.846 -1.159 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.88 -60.27 4.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.968 -1.082 . . . . 0.0 110.09 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.06 83.48 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.82 -49.19 60.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.984 -1.303 . . . . 0.0 109.749 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.655 HD21 HD22 ' B' ' 23' ' ' LEU . 95.8 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.26 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.6 -40.44 96.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.152 -0.967 . . . . 0.0 110.256 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.044 -1.035 . . . . 0.0 109.809 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.51 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 68.0 t90 -59.95 -43.23 95.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.687 -1.258 . . . . 0.0 107.716 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 m -61.73 -40.59 95.62 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.67 -39.03 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.57 -0.706 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.81 -39.03 16.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 110.595 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -104.31 -85.84 0.46 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.423 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.331 -179.538 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.8 p -75.18 160.03 30.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.442 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -72.54 159.74 33.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.224 -0.922 . . . . 0.0 109.445 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -70.86 159.29 34.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.665 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.06 -25.35 65.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.733 -0.605 . . . . 0.0 110.812 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -60.04 -38.91 84.14 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.811 -1.181 . . . . 0.0 109.903 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.492 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.7 t60 -59.61 -51.83 68.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -70.02 -33.95 72.66 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.916 -1.115 . . . . 0.0 109.982 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -71.1 -38.49 72.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.552 -0.718 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.93 -41.33 82.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.0 110.236 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.47 13.4 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 109.558 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.48 -9.3 13.82 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.497 -0.752 . . . . 0.0 110.882 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.52 153.85 28.52 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 120.862 -1.149 . . . . 0.0 109.276 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.74 160.35 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.829 1.686 . . . . 0.0 111.478 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.613 ' HE3' HD22 ' A' ' 46' ' ' LEU . 7.8 ptp -88.54 -20.96 24.39 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.8 -140.02 16.73 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -102.4 27.58 6.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.403 -1.057 . . . . 0.0 110.719 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -60.43 149.88 75.54 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.887 -1.133 . . . . 0.0 108.697 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 159.99 51.31 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.338 2.025 . . . . 0.0 112.493 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.1 p -55.01 -47.57 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.656 -0.653 . . . . 0.0 110.556 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.0 -4.12 0.15 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 20' ' ' VAL . 14.8 t -82.91 -21.43 34.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.738 -1.448 . . . . 0.0 109.607 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 136.37 57.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.459 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 138.84 58.67 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.674 0.75 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.07 -16.51 60.78 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -100.91 116.66 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.352 -1.087 . . . . 0.0 108.315 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.428 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.71 178.24 37.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -59.45 -40.12 85.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -1.079 . . . . 0.0 110.215 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.09 -45.72 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.882 -1.136 . . . . 0.0 108.992 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.4 mt -65.25 -37.05 86.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.503 -0.748 . . . . 0.0 109.279 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.96 95.42 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.01 -40.03 95.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -1.175 . . . . 0.0 110.419 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.94 -48.82 67.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.761 -1.212 . . . . 0.0 109.664 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.37 -40.01 92.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.994 -1.066 . . . . 0.0 109.221 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -41.26 91.78 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.623 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.53 -19.4 64.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 109.112 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -90.02 -0.01 57.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.53 -0.731 . . . . 0.0 110.33 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.66 3.61 43.19 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.023 -1.048 . . . . 0.0 111.887 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.75 75.06 1.27 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.827 -1.396 . . . . 0.0 108.148 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -82.22 -10.42 59.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 111.131 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.7 159.27 42.53 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.937 -1.102 . . . . 0.0 110.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.33 88.96 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.36 -20.08 58.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 111.652 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.47 -33.46 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.407 -1.433 . . . . 0.0 107.503 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.11 -38.39 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD22 ' HE3' ' A' ' 15' ' ' MET . 59.4 tp -60.0 -39.88 87.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.33 -47.3 56.47 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -60.76 -42.96 98.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.068 -1.254 . . . . 0.0 109.596 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.01 -41.29 91.83 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.208 -0.932 . . . . 0.0 108.792 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.49 -37.88 83.52 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.12 -25.58 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 14.11 10.5 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.949 -1.094 . . . . 0.0 110.242 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.0 36.68 8.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.894 -1.129 . . . . 0.0 110.396 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.04 20.4 9.55 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.437 -0.789 . . . . 0.0 110.841 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.54 114.56 5.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.22 -1.55 . . . . 0.0 108.207 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.48 -42.37 92.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.368 -0.832 . . . . 0.0 112.77 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.7 m-20 -68.74 -39.78 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.561 -1.337 . . . . 0.0 110.061 -178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.03 -38.79 75.98 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.015 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.08 -48.01 77.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.0 109.845 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.8 mtm180 -60.06 -46.94 87.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.267 -0.896 . . . . 0.0 111.334 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.09 -35.68 81.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.66 -1.275 . . . . 0.0 109.238 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -61.64 -49.22 77.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 111.512 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.09 -45.1 74.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.813 -1.179 . . . . 0.0 110.37 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.66 -49.18 76.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.012 -1.055 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 29.8 t0 -67.15 -29.63 69.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.524 -0.735 . . . . 0.0 109.42 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.8 m -76.63 -35.57 57.95 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.512 -0.742 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.19 -31.4 1.12 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.676 -1.265 . . . . 0.0 112.243 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.74 17.65 8.97 Favored Glycine 0 N--CA 1.503 3.132 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 153.53 2.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.093 -1.24 . . . . 0.0 109.453 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.29 170.64 10.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.062 -1.024 . . . . 0.0 109.843 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.44 70.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.532 -0.73 . . . . 0.0 110.998 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.49 -41.41 66.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.877 -1.139 . . . . 0.0 110.695 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -38.12 85.11 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.23 -0.919 . . . . 0.0 110.746 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.8 m -66.19 -36.79 84.01 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.946 . . . . 0.0 109.737 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' A' ' 75' ' ' ARG . 19.6 mmm-85 -60.07 -38.96 84.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.977 -1.077 . . . . 0.0 109.491 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -68.43 -39.93 81.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.794 -1.191 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.94 -39.94 79.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.689 -1.257 . . . . 0.0 109.85 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -60.41 3.86 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.727 -1.233 . . . . 0.0 110.136 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.63 81.91 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.65 -44.97 72.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.282 . . . . 0.0 109.821 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.92 -39.03 76.38 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.936 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.37 -40.58 91.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 0.0 110.016 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 98.2 mt-10 -69.96 -39.16 76.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.207 -0.933 . . . . 0.0 110.92 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.6 t90 -61.82 -46.92 87.41 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.393 -1.442 . . . . 0.0 108.402 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 89' ' ' LEU . 34.7 m -60.1 -40.04 88.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -0.824 . . . . 0.0 109.839 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.48 -31.9 69.77 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.134 -0.979 . . . . 0.0 110.05 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.65 -31.71 15.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.163 -0.961 . . . . 0.0 110.718 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 89.1 m-85 -110.92 2.03 17.9 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.258 -0.901 . . . . 0.0 111.913 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 109.399 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -75.15 160.0 30.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.106 -0.996 . . . . 0.0 109.418 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -72.5 159.63 33.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 109.452 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -70.79 159.29 34.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.694 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.04 -25.22 65.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.749 -0.594 . . . . 0.0 110.873 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -60.08 -38.94 84.39 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.749 -1.219 . . . . 0.0 109.841 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.6 t60 -59.65 -51.87 67.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.071 -1.018 . . . . 0.0 110.819 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -70.15 -33.7 72.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.87 -1.144 . . . . 0.0 109.873 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.29 -38.15 71.8 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.517 -0.74 . . . . 0.0 110.115 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -68.27 -41.14 81.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.149 -0.969 . . . . 0.0 110.278 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.64 13.2 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.021 -1.049 . . . . 0.0 109.521 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.28 -9.17 13.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.763 . . . . 0.0 110.781 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -154.59 153.92 28.54 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.735 -1.228 . . . . 0.0 109.369 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -43.75 160.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.472 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.596 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.9 ptp -88.45 -21.0 24.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.982 -1.074 . . . . 0.0 109.709 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.99 -140.04 17.75 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -102.44 27.93 6.4 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.491 -1.006 . . . . 0.0 110.592 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -60.74 149.9 77.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.849 -1.157 . . . . 0.0 108.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.72 159.94 51.58 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.328 2.018 . . . . 0.0 112.521 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -55.02 -47.51 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.684 -0.635 . . . . 0.0 110.556 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.472 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.1 -4.22 0.17 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 15.1 t -82.69 -21.43 34.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.716 -1.461 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.48 136.54 57.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -0.997 . . . . 0.0 109.49 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.608 0.718 . . . . 0.0 109.698 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 -16.66 60.39 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -100.9 116.58 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.328 -1.101 . . . . 0.0 108.32 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLY . . . . . 0.415 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.72 178.33 37.86 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.51 -40.04 85.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -1.086 . . . . 0.0 110.362 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.17 -45.68 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 108.995 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.415 HD12 ' H ' ' B' ' 27' ' ' GLY . 90.8 mt -65.27 -37.0 85.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.456 -0.777 . . . . 0.0 109.301 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.45 -40.04 95.65 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.92 -39.89 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -1.105 . . . . 0.0 110.483 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.97 -48.58 68.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.621 -1.299 . . . . 0.0 109.809 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.58 -39.88 92.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.856 -1.152 . . . . 0.0 109.194 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -41.23 91.93 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.611 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.6 -19.28 64.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.295 -0.878 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.98 -0.1 57.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.756 . . . . 0.0 110.329 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.51 3.55 43.69 Favored Glycine 0 N--CA 1.504 3.223 0 O-C-N 121.08 -1.012 . . . . 0.0 111.89 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.57 74.9 1.28 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.794 -1.415 . . . . 0.0 108.225 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -81.87 -10.78 59.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.469 -0.77 . . . . 0.0 111.132 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.42 159.12 42.87 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.62 88.01 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.01 -20.15 56.29 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.418 -1.426 . . . . 0.0 111.63 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.42 -33.67 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.343 -1.473 . . . . 0.0 107.551 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.95 -38.27 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.596 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.8 tp -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.56 -46.81 58.48 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.98 -42.97 99.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.54 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -60.1 -41.3 92.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.918 . . . . 0.0 108.781 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.44 -37.96 83.81 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.06 -25.73 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.327 -0.858 . . . . 0.0 110.674 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.32 14.01 10.42 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.866 -1.146 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 48.99 36.8 9.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.854 -1.154 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 59.88 20.55 9.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.444 -0.785 . . . . 0.0 110.866 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -66.66 114.27 5.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.284 -1.51 . . . . 0.0 108.262 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.25 -42.14 93.61 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.819 . . . . 0.0 112.827 -178.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.4 m-20 -68.96 -39.95 79.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.592 -1.318 . . . . 0.0 110.064 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.8 -38.91 76.79 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.085 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.91 -48.03 78.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.815 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.6 mtm180 -60.06 -46.7 88.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 111.467 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.2 -36.0 82.65 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.749 -1.22 . . . . 0.0 109.285 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -61.39 -49.27 77.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.133 -0.98 . . . . 0.0 111.58 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.02 -44.98 75.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.906 -1.122 . . . . 0.0 110.427 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.78 -49.13 76.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.325 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 33.9 t0 -67.15 -29.81 69.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.454 -0.779 . . . . 0.0 109.409 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.5 m -76.44 -35.92 58.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.409 -0.807 . . . . 0.0 111.005 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.02 -31.42 1.14 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.652 -1.28 . . . . 0.0 112.302 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.88 17.33 9.11 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.17 153.59 2.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.44 170.71 10.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.111 -0.993 . . . . 0.0 109.855 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.52 70.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.499 -0.75 . . . . 0.0 110.868 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.53 -41.27 66.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.937 -1.102 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.0 -38.3 85.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.862 . . . . 0.0 110.742 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -66.0 -36.8 84.27 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.186 -0.946 . . . . 0.0 109.784 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' B' ' 75' ' ' ARG . 19.5 mmm-85 -60.04 -38.94 84.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.947 -1.096 . . . . 0.0 109.57 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.33 -39.91 81.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.782 -1.199 . . . . 0.0 110.822 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.98 -40.06 79.04 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.704 -1.247 . . . . 0.0 109.77 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.98 -60.45 3.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.657 -1.277 . . . . 0.0 110.092 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.39 -32.74 82.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.54 -45.08 73.12 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.255 . . . . 0.0 109.79 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.03 -39.05 75.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.977 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.18 -40.69 90.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.951 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.49 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 98.3 mt-10 -69.99 -39.14 76.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.823 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.1 t90 -61.58 -47.16 86.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.415 -1.428 . . . . 0.0 108.399 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' B' ' 89' ' ' LEU . 35.5 m -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.465 -0.772 . . . . 0.0 109.951 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.44 -32.0 69.81 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.165 -0.959 . . . . 0.0 110.058 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.55 -31.64 15.13 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.149 -0.969 . . . . 0.0 110.803 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 89.0 m-85 -111.13 2.32 17.79 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.266 -0.896 . . . . 0.0 111.779 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.2 tp . . . . . 0 N--CA 1.501 2.075 0 O-C-N 120.731 -1.23 . . . . 0.0 109.375 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -64.41 138.42 58.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.507 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.2 p -77.78 169.22 18.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.272 -0.893 . . . . 0.0 109.858 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.5 p -70.08 163.34 26.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.678 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.87 -20.3 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.738 -0.601 . . . . 0.0 110.053 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -64.45 -37.21 86.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.121 -0.987 . . . . 0.0 109.173 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.02 -51.31 70.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 110.75 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -69.94 -32.0 70.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.165 -0.96 . . . . 0.0 109.818 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -72.56 -39.68 67.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.458 -0.776 . . . . 0.0 110.446 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.74 -40.0 84.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 110.285 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.98 17.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.058 . . . . 0.0 110.02 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.41 -5.35 9.85 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.411 -0.806 . . . . 0.0 110.593 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.76 150.04 22.23 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.733 -1.229 . . . . 0.0 109.789 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -41.94 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.195 1.93 . . . . 0.0 111.867 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.661 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.8 ptp -92.47 -21.15 20.33 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.072 -1.018 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.97 -139.96 32.06 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -104.8 32.26 4.26 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.478 -1.013 . . . . 0.0 109.906 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.07 149.65 73.62 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.979 -1.076 . . . . 0.0 109.296 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.31 156.95 64.04 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.2 p -55.09 -41.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.539 -0.726 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.43 -4.38 9.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t -81.55 -21.4 38.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.706 -1.467 . . . . 0.0 109.195 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.33 141.04 58.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.699 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 135.17 56.59 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.712 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.42 -22.84 34.86 Favored Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 mm -98.76 120.02 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.013 -1.286 . . . . 0.0 108.695 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.42 178.2 38.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.5 -40.04 81.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -1.135 . . . . 0.0 109.982 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.63 -45.78 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.419 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.6 mt -65.87 -36.84 84.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 109.521 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.44 95.66 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.73 -39.91 95.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -1.099 . . . . 0.0 110.725 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -66.99 -48.92 66.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.637 -1.289 . . . . 0.0 110.181 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.42 -39.7 88.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.058 -1.026 . . . . 0.0 108.908 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.96 -45.77 91.58 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.814 -0.755 . . . . 0.0 109.955 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.76 -19.08 65.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.12 -0.988 . . . . 0.0 108.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' A' ' 37' ' ' ARG . 30.2 mtt-85 -89.66 0.94 56.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 110.586 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.71 3.31 43.13 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.086 -1.009 . . . . 0.0 111.837 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.42 74.58 1.18 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.79 -1.418 . . . . 0.0 108.149 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -82.2 -9.98 59.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.79 . . . . 0.0 110.553 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.92 156.84 48.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.197 -0.939 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -60.87 -19.33 60.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.376 -1.453 . . . . 0.0 111.642 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.3 t -78.08 -32.69 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.357 -1.465 . . . . 0.0 107.379 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.9 -38.16 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 ' CE ' ' A' ' 15' ' ' MET . 46.9 tp -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.89 -40.4 96.78 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.27 -41.12 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.017 -1.284 . . . . 0.0 108.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.99 -40.04 87.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.29 -38.74 81.98 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.92 -30.65 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.391 -0.818 . . . . 0.0 110.144 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.46 15.51 7.79 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.23 33.14 6.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.901 -1.125 . . . . 0.0 110.147 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 60.68 20.1 10.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.853 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -66.28 115.77 6.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.562 -1.337 . . . . 0.0 107.998 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.1 tt0 -66.79 -40.94 88.3 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.134 -0.979 . . . . 0.0 112.985 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.93 -40.03 79.25 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.69 -1.256 . . . . 0.0 109.628 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.95 -38.39 76.11 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.41 -47.18 83.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.481 -0.762 . . . . 0.0 109.819 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 99.0 mtt180 -59.96 -46.16 90.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.367 -0.833 . . . . 0.0 111.307 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.36 -36.47 83.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.594 -1.316 . . . . 0.0 108.931 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -63.66 -46.64 84.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.277 -0.889 . . . . 0.0 110.699 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.65 -47.64 68.97 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -59.98 -48.49 81.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 26.6 t0 -68.39 -31.8 71.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 0.0 109.717 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.2 m -75.49 -38.97 59.16 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.927 . . . . 0.0 111.824 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -133.47 -30.86 1.26 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.273 -1.517 . . . . 0.0 112.405 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.23 15.44 12.63 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.44 153.26 1.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.885 -1.362 . . . . 0.0 109.084 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -89.92 172.28 8.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.87 -1.144 . . . . 0.0 109.729 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.67 73.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.5 -39.96 70.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.921 -1.112 . . . . 0.0 109.625 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.75 -39.47 87.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.473 -0.767 . . . . 0.0 110.8 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 p -66.78 -38.57 86.8 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.063 -1.023 . . . . 0.0 109.969 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.01 -37.93 81.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.875 -1.141 . . . . 0.0 109.691 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -67.84 -38.82 83.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.642 -1.286 . . . . 0.0 110.608 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.822 -1.174 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.01 -59.68 5.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.627 -1.295 . . . . 0.0 110.128 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -59.99 -32.33 75.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.94 -50.87 45.51 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.201 -1.176 . . . . 0.0 109.694 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.89 -40.02 72.47 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.587 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.93 -40.83 94.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.042 -1.037 . . . . 0.0 110.386 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -69.99 -38.62 76.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.738 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.5 t90 -60.18 -46.29 90.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.358 -1.464 . . . . 0.0 108.405 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.04 -40.03 87.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.0 109.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.96 -35.2 74.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.401 -0.812 . . . . 0.0 110.394 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -34.95 18.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.968 -1.082 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.7 m-85 -105.11 -85.93 0.47 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.28 -0.887 . . . . 0.0 110.194 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.987 -1.071 . . . . 0.0 109.144 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.7 m -64.52 138.19 58.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -77.59 169.07 18.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -0.877 . . . . 0.0 109.859 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 86.1 p -70.03 163.42 26.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.352 -0.842 . . . . 0.0 109.667 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.88 -20.27 66.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.72 -0.612 . . . . 0.0 110.04 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -64.37 -37.22 86.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.035 -1.041 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.93 -51.29 70.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.935 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.05 -31.9 69.75 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -72.63 -39.64 67.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -67.84 -39.95 83.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.306 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.3 m -83.06 17.86 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.45 -5.44 9.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.376 -0.828 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.69 150.05 22.36 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.786 -1.196 . . . . 0.0 109.744 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.01 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.243 1.962 . . . . 0.0 111.817 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.653 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.9 ptp -92.62 -20.8 20.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.045 -1.034 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.53 -139.94 30.2 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.75 32.5 4.09 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.437 -1.037 . . . . 0.0 109.888 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.43 149.84 75.7 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.972 -1.08 . . . . 0.0 109.291 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.41 156.85 64.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.574 2.183 . . . . 0.0 112.593 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.3 p -55.02 -41.7 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.473 -0.767 . . . . 0.0 110.37 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.3 -4.37 8.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -81.67 -21.17 38.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.735 -1.45 . . . . 0.0 109.276 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.49 141.04 58.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.245 -0.909 . . . . 0.0 109.684 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 135.16 56.54 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.663 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.39 -22.72 35.28 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -98.77 120.07 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.998 -1.295 . . . . 0.0 108.583 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 178.22 38.16 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.65 -39.9 81.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.337 -1.096 . . . . 0.0 110.024 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.63 -45.84 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 109.431 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.77 -36.89 84.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 109.529 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.41 95.59 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.68 -40.09 95.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.687 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -66.83 -48.97 67.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.624 -1.297 . . . . 0.0 110.175 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.56 -39.42 87.9 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.035 -1.041 . . . . 0.0 108.954 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.08 -45.9 91.36 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.836 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.62 -19.12 65.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 108.962 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' B' ' 37' ' ' ARG . 30.1 mtt-85 -89.47 0.74 56.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.166 -0.959 . . . . 0.0 110.667 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.87 3.37 42.58 Favored Glycine 0 N--CA 1.504 3.203 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.772 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -104.57 74.46 1.16 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.395 . . . . 0.0 108.125 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -81.98 -10.14 59.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.488 -0.757 . . . . 0.0 110.575 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.79 156.97 47.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.129 -0.982 . . . . 0.0 110.08 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.4 89.7 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -60.64 -19.62 58.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.358 -1.464 . . . . 0.0 111.655 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 51.0 t -78.08 -32.6 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.392 -1.442 . . . . 0.0 107.415 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.86 -38.23 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.653 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.8 tp -60.09 -39.08 84.87 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.88 -40.44 96.81 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -60.09 -41.19 91.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.998 -1.295 . . . . 0.0 108.732 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.34 -38.66 81.72 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.01 -30.47 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 0.0 110.16 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.72 15.64 7.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.07 -1.019 . . . . 0.0 109.978 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.21 32.97 6.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.864 -1.147 . . . . 0.0 110.246 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 60.78 20.12 10.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.656 -0.653 . . . . 0.0 110.803 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.41 115.84 6.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.692 -1.255 . . . . 0.0 107.892 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.1 tt0 -66.84 -41.09 88.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.156 -0.965 . . . . 0.0 113.007 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.78 -39.94 79.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.811 -1.181 . . . . 0.0 109.671 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.97 -38.44 76.06 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.336 -0.946 . . . . 0.0 108.774 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.39 -47.08 83.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.449 -0.782 . . . . 0.0 109.894 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 99.0 mtt180 -60.03 -46.16 90.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 0.0 111.33 -178.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.27 -36.66 84.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.695 -1.253 . . . . 0.0 108.922 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -63.54 -46.58 85.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 110.738 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.78 -47.57 68.8 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.094 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.08 -48.41 81.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 26.2 t0 -68.49 -31.66 71.1 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.691 -0.631 . . . . 0.0 109.676 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -75.47 -39.05 59.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.0 111.854 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.0 p -133.41 -31.0 1.25 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.393 -1.442 . . . . 0.0 112.322 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.15 15.63 12.45 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.63 153.31 1.21 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.937 -1.331 . . . . 0.0 109.048 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -89.79 172.25 9.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.802 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.92 73.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.498 -0.751 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.41 -39.91 70.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.943 -1.098 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.72 -39.58 88.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.443 -0.785 . . . . 0.0 110.765 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 11.2 p -66.68 -38.52 86.96 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.122 -0.986 . . . . 0.0 110.055 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -59.96 -37.94 81.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.05 -38.57 82.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.649 -1.282 . . . . 0.0 110.593 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.42 -40.02 85.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.852 -1.155 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.01 -59.52 5.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.587 -1.321 . . . . 0.0 110.075 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -60.09 -32.29 75.5 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.09 -50.85 44.54 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.225 -1.162 . . . . 0.0 109.605 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.84 -40.02 72.62 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.559 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -61.14 -40.77 95.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.0 -1.062 . . . . 0.0 110.31 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.0 -38.69 76.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 110.612 -179.303 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.0 t90 -60.2 -46.14 90.74 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.358 -1.464 . . . . 0.0 108.482 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.414 -0.804 . . . . 0.0 109.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.0 -35.15 74.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.476 -0.765 . . . . 0.0 110.425 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.13 18.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.071 -1.018 . . . . 0.0 110.263 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.0 m-85 -104.87 -85.81 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.33 -0.856 . . . . 0.0 110.288 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.971 -1.081 . . . . 0.0 109.124 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m 51.86 -110.19 0.49 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.6 p -72.83 150.28 42.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.969 -1.082 . . . . 0.0 109.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -80.36 172.32 13.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.427 -0.796 . . . . 0.0 109.502 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.15 -25.36 68.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.667 -0.646 . . . . 0.0 109.982 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.67 -35.73 78.81 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.108 -0.995 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -59.59 -49.19 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.166 -0.959 . . . . 0.0 110.461 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -69.97 -31.73 69.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.953 -1.092 . . . . 0.0 109.772 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.92 -38.89 69.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -67.36 -39.95 85.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 110.211 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.76 16.78 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.326 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.68 -4.63 9.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.342 -0.849 . . . . 0.0 110.663 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.28 150.48 23.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.768 -1.207 . . . . 0.0 109.282 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -42.23 159.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.708 1.605 . . . . 0.0 111.472 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.39 -21.93 21.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.885 -1.134 . . . . 0.0 109.051 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.92 -137.38 27.89 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.39 33.57 4.25 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.653 -0.91 . . . . 0.0 110.272 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -60.02 150.01 71.71 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.108 -0.995 . . . . 0.0 109.045 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.2 152.42 81.3 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.216 1.944 . . . . 0.0 112.083 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.89 -40.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.535 -0.728 . . . . 0.0 110.419 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.52 -4.3 12.7 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -82.5 -22.66 34.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.792 -1.417 . . . . 0.0 109.2 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.19 139.2 58.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.967 . . . . 0.0 109.391 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 139.05 58.49 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.728 0.775 . . . . 0.0 110.208 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 94.04 -14.58 65.0 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.76 116.99 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.06 -1.259 . . . . 0.0 108.27 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 178.74 36.84 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.26 -39.87 80.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -1.012 . . . . 0.0 110.433 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.92 -47.39 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 120.834 -1.166 . . . . 0.0 109.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.94 -37.13 85.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.204 -0.935 . . . . 0.0 109.791 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.02 96.43 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.61 -39.83 95.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.29 -1.124 . . . . 0.0 110.589 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.29 -44.17 79.91 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.753 -1.217 . . . . 0.0 109.979 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.65 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.931 -1.105 . . . . 0.0 108.741 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -44.35 94.54 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.977 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.82 -19.37 65.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.227 -0.92 . . . . 0.0 108.813 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.92 -0.01 57.0 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.323 -0.861 . . . . 0.0 110.315 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.12 3.97 35.79 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.151 -0.968 . . . . 0.0 111.807 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -105.47 75.43 1.15 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.934 -1.333 . . . . 0.0 109.489 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -82.02 -13.15 57.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.06 151.39 50.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.393 -0.817 . . . . 0.0 109.469 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.74 94.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.617 -0.677 . . . . 0.0 111.275 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -60.0 -20.06 55.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.638 -1.289 . . . . 0.0 111.325 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.93 -32.54 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.476 -1.39 . . . . 0.0 107.313 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.41 -35.75 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -44.4 91.53 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.49 -43.81 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.903 -1.351 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.58 -39.38 81.0 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.0 -25.53 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.376 -0.828 . . . . 0.0 110.62 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.68 14.67 11.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.921 -1.112 . . . . 0.0 110.825 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.4 36.54 13.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.8 -1.188 . . . . 0.0 110.637 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 60.05 20.51 9.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.469 -0.769 . . . . 0.0 110.706 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -68.19 113.64 6.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.388 -1.445 . . . . 0.0 108.346 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.33 -40.66 93.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.545 -0.722 . . . . 0.0 112.906 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -39.33 75.9 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.701 -1.249 . . . . 0.0 109.899 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.81 -39.09 76.73 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.066 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.28 -46.92 84.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.055 -1.028 . . . . 0.0 109.772 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -60.01 -46.06 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.407 -0.808 . . . . 0.0 111.18 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.86 -38.13 89.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.76 -1.212 . . . . 0.0 108.641 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -61.46 -49.38 77.05 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.99 -48.69 65.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.996 -1.065 . . . . 0.0 110.141 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.47 -47.44 85.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.965 . . . . 0.0 109.588 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.39 -30.28 69.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.712 -0.617 . . . . 0.0 109.766 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -79.44 -33.61 42.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -0.929 . . . . 0.0 111.159 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.98 -29.72 1.43 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.556 -1.34 . . . . 0.0 112.382 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.02 15.54 16.02 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.84 154.16 2.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.123 -1.222 . . . . 0.0 109.271 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -90.88 171.8 9.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.024 -1.047 . . . . 0.0 110.024 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.77 72.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.614 -0.679 . . . . 0.0 110.939 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 9.3 mtpm? -72.08 -40.2 68.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 0.0 110.439 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.5 mm100 -68.59 -36.69 79.04 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 110.625 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 -38.07 81.22 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 110.034 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.83 -37.57 82.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.868 -1.145 . . . . 0.0 110.046 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -67.93 -39.88 83.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.586 -1.321 . . . . 0.0 110.762 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.39 -39.95 77.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.893 -1.129 . . . . 0.0 110.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.34 -59.93 4.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.701 -1.249 . . . . 0.0 110.142 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.38 -32.46 77.33 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -68.6 -49.17 61.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -1.179 . . . . 0.0 109.823 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.04 -40.0 75.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.546 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -60.69 -40.16 91.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.105 -0.997 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.12 -37.72 75.4 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.196 -0.94 . . . . 0.0 110.942 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 90.8 t90 -62.33 -43.73 98.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.341 -1.474 . . . . 0.0 109.104 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 89' ' ' LEU . 65.0 m -60.23 -40.08 88.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 109.844 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.96 -30.47 67.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.37 -33.58 13.81 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.166 -0.959 . . . . 0.0 111.086 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.7 m-85 -109.94 0.39 18.56 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.293 -0.88 . . . . 0.0 111.875 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.7 tp . . . . . 0 N--CA 1.497 1.908 0 O-C-N 120.721 -1.237 . . . . 0.0 109.039 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m 51.76 -110.11 0.48 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.3 -0.875 . . . . 0.0 109.205 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 56.2 p -73.05 150.26 42.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.967 -1.083 . . . . 0.0 109.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -80.23 172.5 13.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 109.456 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.22 -25.35 68.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.736 -0.603 . . . . 0.0 110.024 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -35.92 79.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.144 -0.973 . . . . 0.0 109.3 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.435 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.7 t60 -59.48 -49.15 78.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.091 -1.006 . . . . 0.0 110.511 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.404 HH11 ' HG3' ' B' ' 8' ' ' ARG . 24.1 mmm-85 -70.04 -31.71 69.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.977 -1.077 . . . . 0.0 109.802 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.79 -39.24 70.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.347 -0.846 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.07 -39.98 86.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.414 -0.804 . . . . 0.0 110.256 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.78 17.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.951 . . . . 0.0 110.277 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -4.89 9.68 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.792 . . . . 0.0 110.734 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.13 150.51 24.1 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 120.75 -1.219 . . . . 0.0 109.295 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.26 159.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.67 1.58 . . . . 0.0 111.517 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.54 -21.42 21.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.886 -1.133 . . . . 0.0 109.113 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 -137.4 24.79 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.1 33.54 4.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.573 -0.957 . . . . 0.0 110.28 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -60.07 150.01 72.18 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.039 -1.038 . . . . 0.0 109.083 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.07 152.47 80.86 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.259 1.972 . . . . 0.0 112.073 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.93 -40.46 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.554 -0.716 . . . . 0.0 110.416 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 -3.93 11.51 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.8 t -82.87 -22.77 33.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.784 -1.421 . . . . 0.0 109.147 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.12 139.06 58.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.928 . . . . 0.0 109.375 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 138.96 58.49 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.79 0.805 . . . . 0.0 110.305 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 94.14 -14.41 65.37 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.1 mm -101.85 117.13 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.153 -1.204 . . . . 0.0 108.218 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.72 178.57 36.55 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.15 -40.02 80.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -1.009 . . . . 0.0 110.367 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.7 -47.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.908 -1.12 . . . . 0.0 109.832 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.76 -37.23 85.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.712 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.99 96.38 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.51 -40.08 96.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.245 -1.15 . . . . 0.0 110.501 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.609 -1.307 . . . . 0.0 110.029 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.67 -39.76 95.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.022 -1.049 . . . . 0.0 108.835 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -44.39 94.61 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.953 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -65.81 -19.37 65.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 108.776 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.9 0.14 56.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.418 -0.801 . . . . 0.0 110.31 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 4.15 36.28 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 121.038 -1.039 . . . . 0.0 111.823 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.78 75.64 1.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.829 -1.394 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -82.33 -12.98 57.63 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.781 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.03 151.55 50.45 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.333 -0.854 . . . . 0.0 109.487 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.51 93.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.639 -0.663 . . . . 0.0 111.302 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -60.0 -20.63 58.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.662 -1.274 . . . . 0.0 111.319 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -78.57 -32.47 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.441 -1.412 . . . . 0.0 107.228 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.5 -35.71 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.91 -39.61 86.0 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.14 -44.92 88.63 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.16 -43.76 95.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.962 -1.317 . . . . 0.0 109.245 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -39.86 81.17 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.61 -25.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.385 -0.822 . . . . 0.0 110.648 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.0 15.16 10.53 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.919 -1.113 . . . . 0.0 110.718 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.03 36.59 12.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.807 -1.183 . . . . 0.0 110.672 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.01 20.07 9.18 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.508 -0.745 . . . . 0.0 110.682 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.76 113.8 5.83 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.375 -1.453 . . . . 0.0 108.252 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.41 -41.09 93.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.584 -0.697 . . . . 0.0 112.823 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.67 -39.26 77.11 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.576 -1.327 . . . . 0.0 109.889 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.87 -38.85 76.54 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.086 -1.045 . . . . 0.0 109.156 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.56 -46.85 84.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.084 -1.01 . . . . 0.0 109.813 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -59.95 -46.7 88.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.0 111.053 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.37 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.75 -1.219 . . . . 0.0 108.771 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.4 t90 -61.66 -49.13 77.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.373 -0.829 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.14 -49.06 63.47 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.045 -1.034 . . . . 0.0 110.078 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.15 -47.43 86.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 0.0 109.593 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.31 -30.46 69.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -79.29 -33.63 43.13 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.16 -0.963 . . . . 0.0 111.224 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.88 -30.14 1.41 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.685 -1.259 . . . . 0.0 112.272 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.32 15.88 14.69 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.19 154.29 2.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -1.202 . . . . 0.0 109.256 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -90.93 171.62 9.17 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.4 71.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.593 -0.692 . . . . 0.0 110.88 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -72.26 -40.23 67.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.527 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.6 mm100 -68.71 -36.4 78.4 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.309 -0.869 . . . . 0.0 110.629 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 53.8 p -68.58 -37.75 80.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.172 -0.955 . . . . 0.0 110.013 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.1 -37.29 82.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.869 -1.144 . . . . 0.0 110.095 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.17 -39.94 82.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.444 -1.41 . . . . 0.0 110.571 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.31 -40.13 77.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.781 -1.199 . . . . 0.0 110.489 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.2 -59.88 4.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.34 77.9 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.58 -49.2 61.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -1.191 . . . . 0.0 109.817 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.99 -39.96 75.6 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.612 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.84 -40.04 91.36 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.18 -0.95 . . . . 0.0 110.214 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.435 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.9 mt-10 -70.29 -37.73 74.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 110.877 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 90.7 t90 -62.33 -43.73 98.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.411 -1.431 . . . . 0.0 109.103 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' B' ' 89' ' ' LEU . 64.5 m -60.36 -39.91 88.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.822 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.07 -30.12 67.83 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.68 -33.77 13.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.151 -0.968 . . . . 0.0 110.973 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.7 m-85 -109.64 0.02 18.85 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.254 -0.903 . . . . 0.0 111.846 -177.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.497 1.912 0 O-C-N 120.9 -1.125 . . . . 0.0 109.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.1 m -97.25 117.49 31.58 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.301 -0.874 . . . . 0.0 108.811 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.3 p -80.04 166.24 21.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.945 . . . . 0.0 109.774 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -70.01 156.51 39.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 0.0 109.198 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.88 -22.63 64.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.76 -0.588 . . . . 0.0 110.33 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -63.28 -39.82 95.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.131 -0.98 . . . . 0.0 110.148 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.02 -50.33 74.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.909 -1.119 . . . . 0.0 110.504 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HG2' HH11 ' A' ' 8' ' ' ARG . 32.8 mtt-85 -70.1 -34.7 73.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.92 -39.9 72.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.456 -0.777 . . . . 0.0 110.332 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 -40.0 83.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.379 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.5 m -83.77 15.96 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.03 -1.044 . . . . 0.0 109.989 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.98 -8.38 10.24 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.432 -0.793 . . . . 0.0 111.248 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.25 28.21 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.597 -1.315 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.71 161.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.044 1.829 . . . . 0.0 112.039 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.47 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.93 -22.16 21.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.189 -0.944 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.6 -142.03 12.31 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.39 29.47 5.18 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -1.05 . . . . 0.0 110.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -62.08 149.6 85.96 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 120.873 -1.142 . . . . 0.0 108.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.42 159.96 51.66 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.489 2.126 . . . . 0.0 112.898 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -55.4 -48.27 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.38 0.609 . . . . 0.0 111.154 -179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.12 -3.84 0.15 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 20' ' ' VAL . 19.3 m -83.28 -22.64 32.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.833 -1.392 . . . . 0.0 109.373 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 81' ' ' LEU . 94.5 mt -63.59 139.33 58.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 109.29 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 134.88 55.58 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.639 0.733 . . . . 0.0 110.189 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.23 -18.27 56.79 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -95.93 116.47 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.032 -1.275 . . . . 0.0 108.234 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.46 170.64 39.03 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 45.9 mp0 -57.04 -40.04 76.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.271 -1.135 . . . . 0.0 110.377 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.17 -41.35 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.836 -1.165 . . . . 0.0 109.618 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.72 -37.25 81.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.745 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.75 94.68 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.54 -39.22 92.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -1.069 . . . . 0.0 110.36 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.86 -44.56 76.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.742 -1.224 . . . . 0.0 109.943 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.0 -38.58 91.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.746 -1.221 . . . . 0.0 108.571 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.891 -0.723 . . . . 0.0 109.255 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.94 -18.82 64.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 108.716 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.51 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 7.1 51.11 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 121.063 -1.023 . . . . 0.0 112.157 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 44' ' ' VAL . 93.3 m-85 -106.57 75.52 1.07 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 119.149 1.474 . . . . 0.0 108.941 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -80.51 -9.03 59.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.524 -0.735 . . . . 0.0 111.112 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -137.63 159.87 40.77 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.997 -1.065 . . . . 0.0 109.983 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.01 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.671 . . . . 0.0 112.763 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -60.18 -19.13 52.66 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.402 -1.436 . . . . 0.0 111.244 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 39' ' ' PHE . 21.8 t -78.77 -33.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.08 -40.03 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD22 ' CE ' ' A' ' 15' ' ' MET . 58.9 tp -60.08 -38.81 83.97 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.07 79.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -59.97 -41.95 93.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.048 -1.266 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.383 -0.823 . . . . 0.0 108.839 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.34 -37.87 86.35 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.42 -26.67 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -0.904 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -90.05 13.55 14.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.025 -1.047 . . . . 0.0 110.838 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 47.67 39.89 10.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.695 -1.253 . . . . 0.0 110.717 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 59.86 19.99 8.9 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.454 -0.779 . . . . 0.0 110.134 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.6 113.31 5.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.618 -1.301 . . . . 0.0 108.301 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.47 -42.4 98.6 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.08 -39.0 75.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.469 -1.395 . . . . 0.0 110.846 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.02 -39.92 78.97 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.016 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.35 -44.47 91.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.0 -48.3 82.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 0.0 111.185 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -65.11 -37.96 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.685 -1.259 . . . . 0.0 109.494 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.28 -49.81 75.53 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.005 -1.06 . . . . 0.0 110.978 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.7 -48.04 67.67 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.138 -0.976 . . . . 0.0 110.297 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' GLY . 60.5 tttm -62.67 -47.5 83.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.945 . . . . 0.0 109.349 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.11 -31.71 71.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.742 -0.599 . . . . 0.0 109.621 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 64.3 m -79.31 -33.84 42.85 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 110.958 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -131.39 -28.3 1.89 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.641 -1.287 . . . . 0.0 112.17 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 106.77 15.19 17.43 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.48 152.61 1.84 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.273 . . . . 0.0 109.863 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -91.63 172.45 8.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.861 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.28 77.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 110.768 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 88.4 tttt -70.48 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.964 -1.085 . . . . 0.0 110.091 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.75 -37.45 82.15 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.368 -0.833 . . . . 0.0 110.658 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 p -67.58 -38.33 83.9 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.134 -0.979 . . . . 0.0 110.093 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.3 mtm180 -60.97 -38.44 85.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.831 -1.168 . . . . 0.0 110.209 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.0 -39.99 83.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.542 -1.349 . . . . 0.0 110.668 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.4 m -68.42 -40.09 81.35 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.828 -1.17 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.51 -60.03 4.45 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.452 -1.405 . . . . 0.0 109.847 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.09 85.2 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.287 -0.958 . . . . 0.0 110.964 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.83 -48.26 59.63 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.924 -1.339 . . . . 0.0 110.098 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -69.62 -39.58 77.08 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.823 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.36 -40.1 89.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.98 -39.46 75.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.148 -0.97 . . . . 0.0 111.226 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -61.98 -41.6 98.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.451 -1.406 . . . . 0.0 109.066 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 89' ' ' LEU . 67.1 m -61.46 -39.97 92.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.054 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.04 -29.03 68.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.19 -35.98 14.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.073 -1.017 . . . . 0.0 111.085 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -112.12 0.72 15.98 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.382 -0.824 . . . . 0.0 111.817 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' CYS . 48.2 tp . . . . . 0 N--CA 1.499 1.979 0 O-C-N 120.606 -1.309 . . . . 0.0 109.08 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.401 ' CG ' ' N ' ' B' ' 2' ' ' THR . 24.3 ptm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.401 ' N ' ' CG ' ' B' ' 1' ' ' MET . 62.1 m -97.08 117.52 31.43 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.276 -0.89 . . . . 0.0 108.795 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.5 p -80.02 166.24 21.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.93 . . . . 0.0 109.732 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 29.3 t -69.96 156.52 39.0 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.253 -0.904 . . . . 0.0 109.174 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.99 -22.62 64.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.883 -0.511 . . . . 0.0 110.18 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -63.23 -39.91 95.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.006 -1.059 . . . . 0.0 110.068 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' HIS . . . . . 0.42 ' O ' HG22 ' B' ' 11' ' ' VAL . 79.0 t60 -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.915 -1.115 . . . . 0.0 110.484 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' B' ' 8' ' ' ARG . 33.0 mtt-85 -70.02 -34.41 73.25 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.126 -0.984 . . . . 0.0 109.978 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.97 -39.97 72.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.88 -39.98 83.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.909 . . . . 0.0 110.37 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 7' ' ' HIS . 19.5 m -83.83 15.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.077 -1.014 . . . . 0.0 110.004 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.01 -8.28 10.25 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.33 -0.856 . . . . 0.0 111.21 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.33 28.36 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.555 -1.341 . . . . 0.0 110.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.76 161.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.994 1.796 . . . . 0.0 112.079 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.474 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.05 21.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.224 -0.922 . . . . 0.0 109.635 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.35 -141.9 11.44 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.31 29.45 5.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.399 -1.059 . . . . 0.0 110.747 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -62.1 149.4 86.61 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 108.885 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.33 159.98 51.6 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.471 2.114 . . . . 0.0 112.862 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.0 p -55.38 -48.3 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.682 -0.636 . . . . 0.0 111.07 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.544 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.11 -3.85 0.15 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' VAL . 19.3 m -83.23 -22.81 33.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.825 -1.397 . . . . 0.0 109.342 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.51 139.27 58.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.94 . . . . 0.0 109.352 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.27 134.77 55.36 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.701 0.763 . . . . 0.0 110.21 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 -17.98 57.08 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.24 116.44 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.049 -1.265 . . . . 0.0 108.225 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.44 170.51 38.9 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 45.8 mp0 -57.1 -39.9 75.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -1.094 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.3 -41.43 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.854 -1.154 . . . . 0.0 109.677 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.43 -37.43 83.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.813 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.55 94.45 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.64 -39.09 92.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.409 -1.053 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.82 -44.72 76.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.696 -1.252 . . . . 0.0 109.948 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.95 -38.73 92.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.91 -1.119 . . . . 0.0 108.536 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -40.0 86.94 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.317 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.99 -18.82 64.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.52 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.536 -0.728 . . . . 0.0 109.78 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.99 6.99 51.27 Favored Glycine 0 N--CA 1.502 3.054 0 O-C-N 121.016 -1.052 . . . . 0.0 112.158 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' B' ' 44' ' ' VAL . 93.1 m-85 -106.6 75.56 1.07 Allowed 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 119.219 1.509 . . . . 0.0 108.898 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -80.41 -8.98 59.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.603 -0.685 . . . . 0.0 111.083 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -137.56 159.85 40.81 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.038 -1.039 . . . . 0.0 110.026 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.0 91.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.654 -0.654 . . . . 0.0 112.647 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.09 -19.31 52.65 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.251 -1.531 . . . . 0.0 111.185 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' B' ' 39' ' ' PHE . 21.7 t -78.62 -33.28 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.434 -1.416 . . . . 0.0 107.279 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.96 -40.0 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.474 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.04 -38.75 83.65 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.82 81.52 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.138 -1.213 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.87 -40.1 87.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.378 -0.826 . . . . 0.0 108.951 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.31 -37.75 86.12 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.5 -26.72 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.196 -0.94 . . . . 0.0 110.228 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.07 13.78 14.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.08 -1.012 . . . . 0.0 110.784 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 47.48 39.96 10.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.701 -1.249 . . . . 0.0 110.606 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 59.88 19.93 8.88 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.416 -0.802 . . . . 0.0 110.204 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.69 113.73 6.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.464 -1.398 . . . . 0.0 108.24 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.77 -42.51 97.76 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.99 -38.91 76.14 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.532 -1.355 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.0 -39.96 79.0 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.961 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.44 -44.37 91.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.971 -1.081 . . . . 0.0 109.745 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 111.056 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.7 OUTLIER -65.0 -37.95 89.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.668 -1.27 . . . . 0.0 109.562 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 62' ' ' TRP . . . . . 0.417 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.15 -49.85 75.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.03 -1.044 . . . . 0.0 110.954 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.78 -48.08 67.36 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.316 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' GLY . 60.6 tttm -62.6 -47.53 83.39 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.03 -31.97 72.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.724 -0.61 . . . . 0.0 109.572 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 65.0 m -78.96 -33.76 44.95 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.331 -0.855 . . . . 0.0 111.009 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -131.56 -28.48 1.84 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.631 -1.293 . . . . 0.0 112.177 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 106.92 15.3 16.84 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.36 152.8 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.091 -1.24 . . . . 0.0 109.842 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.78 172.75 8.26 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.197 -0.939 . . . . 0.0 109.953 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.24 77.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.79 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.453 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 88.5 tttt -70.63 -41.37 72.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.952 -1.093 . . . . 0.0 110.1 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.68 -37.49 82.42 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.359 -0.838 . . . . 0.0 110.609 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 10.1 p -67.53 -38.29 83.99 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.126 -0.984 . . . . 0.0 110.124 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.3 mtm180 -61.11 -38.34 85.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.851 -1.155 . . . . 0.0 110.209 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.02 83.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.674 -1.266 . . . . 0.0 110.73 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.54 -40.02 80.87 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -58.48 -59.93 4.59 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.588 -1.32 . . . . 0.0 109.897 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.12 85.46 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.82 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.69 -48.39 59.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.89 -1.359 . . . . 0.0 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.71 -39.38 76.91 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.773 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.51 -40.11 90.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.98 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 111.217 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TRP . . . . . 0.608 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.7 t90 -62.09 -41.47 98.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.481 -1.387 . . . . 0.0 109.099 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 89' ' ' LEU . 67.1 m -61.52 -39.92 92.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.108 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.97 -29.22 68.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.22 -35.92 14.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.037 -1.04 . . . . 0.0 111.076 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.608 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.1 m-85 -112.11 0.76 16.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.286 -0.884 . . . . 0.0 111.843 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 85' ' ' CYS . 47.7 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 120.612 -1.305 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.525 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 63.7 t60 -57.57 -48.89 78.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 110.024 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -70.07 -33.58 72.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.235 -0.915 . . . . 0.0 110.38 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.93 -38.71 69.79 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -67.44 -40.05 85.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.161 -0.962 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.7 m -84.6 15.48 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 0.0 109.938 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.16 -7.14 10.36 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.423 -0.798 . . . . 0.0 110.711 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -154.08 152.81 27.41 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 120.807 -1.183 . . . . 0.0 109.521 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.99 157.83 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.916 1.744 . . . . 0.0 111.614 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.681 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.7 ptp -91.49 -20.14 22.06 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.103 -0.998 . . . . 0.0 109.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.48 -138.12 18.76 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.29 30.04 6.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.464 -1.021 . . . . 0.0 110.862 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.59 150.29 75.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.79 -1.194 . . . . 0.0 108.658 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -63.73 152.93 78.27 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.286 1.991 . . . . 0.0 112.773 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -52.95 -46.65 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.5 0.667 . . . . 0.0 110.39 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.56 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.89 -1.73 0.27 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.6 t -82.62 -23.61 34.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.319 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.29 139.85 58.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.401 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.24 57.28 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.616 0.722 . . . . 0.0 109.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 -20.2 49.37 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.21 120.26 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.062 -1.258 . . . . 0.0 108.251 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.512 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -90.48 175.22 40.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.85 -40.03 79.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.424 -1.045 . . . . 0.0 110.459 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.11 -45.37 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.058 -1.026 . . . . 0.0 109.717 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD12 ' H ' ' A' ' 27' ' ' GLY . 67.8 mt -65.46 -36.11 82.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.442 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.36 95.65 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.3 -39.95 94.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.305 -1.115 . . . . 0.0 111.231 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.85 -44.61 84.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.642 -1.286 . . . . 0.0 109.609 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.93 -39.54 92.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.94 . . . . 0.0 109.452 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -39.99 87.48 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.291 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.73 -19.73 65.17 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.276 -0.89 . . . . 0.0 108.93 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 37' ' ' ARG . 48.1 mtt-85 -90.32 2.25 55.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.571 -0.706 . . . . 0.0 110.901 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.04 4.47 44.77 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.965 -1.084 . . . . 0.0 111.791 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.05 73.51 1.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.927 -1.337 . . . . 0.0 108.207 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.57 -12.56 58.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.56 -0.713 . . . . 0.0 110.167 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.3 150.96 50.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.433 -0.792 . . . . 0.0 109.17 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.02 94.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 111.422 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -58.46 -19.34 36.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.691 -1.256 . . . . 0.0 111.563 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.04 -31.74 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.416 -1.427 . . . . 0.0 107.529 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -77.4 -34.14 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.681 HD22 ' CE ' ' A' ' 15' ' ' MET . 31.2 tp -60.03 -39.1 84.73 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.58 -40.97 97.05 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -40.32 88.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.369 . . . . 0.0 108.974 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.89 -39.51 83.62 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.64 -29.18 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.302 -0.874 . . . . 0.0 110.549 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.96 15.78 9.4 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.41 35.05 5.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.767 -1.208 . . . . 0.0 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 60.99 20.0 10.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.745 -0.597 . . . . 0.0 111.568 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -67.34 118.34 10.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.273 -1.517 . . . . 0.0 108.128 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.28 -40.65 96.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.423 -0.798 . . . . 0.0 112.902 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.541 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 92.0 m-20 -69.91 -40.2 75.74 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.655 -1.278 . . . . 0.0 110.4 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.57 -39.99 73.59 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.78 -49.31 71.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.44 -0.787 . . . . 0.0 110.352 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.541 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.7 mtm180 -61.19 -43.88 98.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.0 -1.063 . . . . 0.0 110.9 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.03 -34.02 77.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.63 -1.294 . . . . 0.0 108.956 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.41 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.67 -48.19 81.95 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 110.501 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.53 -50.33 52.8 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.55 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.25 -48.39 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.16 -0.963 . . . . 0.0 110.066 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -69.41 -26.83 64.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.587 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.3 m -80.16 -33.23 38.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 111.242 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -133.01 -25.22 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.556 -1.34 . . . . 0.0 112.411 -177.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.85 14.21 23.64 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.48 152.73 2.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 109.476 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.7 169.07 12.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.019 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.7 70.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.492 -0.755 . . . . 0.0 110.556 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -40.03 67.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.975 -1.078 . . . . 0.0 109.295 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.64 -37.07 84.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.559 -0.713 . . . . 0.0 110.505 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.162 -0.961 . . . . 0.0 109.786 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -61.14 -37.88 84.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.012 -1.055 . . . . 0.0 110.278 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.57 -39.99 80.76 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.495 -1.378 . . . . 0.0 110.738 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.95 -40.04 79.19 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.856 -1.153 . . . . 0.0 110.008 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.36 -59.36 5.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.605 -1.309 . . . . 0.0 110.076 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.93 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.66 -48.14 67.52 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.057 -1.261 . . . . 0.0 109.13 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.04 -40.01 75.38 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.495 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -63.56 -40.71 97.68 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.036 -1.04 . . . . 0.0 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.525 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.5 mt-10 -69.85 -38.74 76.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.05 -1.031 . . . . 0.0 110.141 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.4 t90 -60.7 -44.6 96.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.668 -1.27 . . . . 0.0 108.655 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.75 -40.04 90.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.286 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.23 -32.57 70.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.79 17.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.198 -0.938 . . . . 0.0 110.486 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.0 m-85 . . . . . 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.511 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 63.5 t60 -57.55 -48.94 77.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.979 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -70.03 -33.56 72.13 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.97 -38.43 69.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.78 -40.0 84.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 110.219 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.34 15.1 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.952 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.92 -7.09 10.48 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.435 -0.79 . . . . 0.0 110.747 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -154.13 152.81 27.33 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.736 -1.227 . . . . 0.0 109.479 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -42.1 157.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.839 1.693 . . . . 0.0 111.611 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.665 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.3 ptp -91.52 -20.36 21.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.104 -0.998 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.03 -137.99 22.03 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.55 29.9 6.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.54 -0.976 . . . . 0.0 110.823 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.44 150.1 74.85 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 120.848 -1.157 . . . . 0.0 108.629 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -63.57 152.96 77.79 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.296 1.997 . . . . 0.0 112.873 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.557 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.6 p -52.99 -46.62 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-O 121.528 0.68 . . . . 0.0 110.396 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.557 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.89 -2.04 0.31 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.3 t -82.27 -23.65 35.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.946 -1.326 . . . . 0.0 109.128 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.34 139.87 58.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.407 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 136.52 57.55 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.652 0.739 . . . . 0.0 109.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.17 -20.25 49.58 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -99.14 120.15 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.083 -1.245 . . . . 0.0 108.33 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.506 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -90.39 175.35 40.87 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.92 -39.99 79.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.521 -0.988 . . . . 0.0 110.423 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.25 -45.19 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.96 -1.088 . . . . 0.0 109.756 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.506 HD12 ' H ' ' B' ' 27' ' ' GLY . 68.3 mt -65.61 -36.04 82.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.376 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.57 95.89 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.286 -1.126 . . . . 0.0 111.138 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.88 -44.57 84.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.612 -1.305 . . . . 0.0 109.658 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.04 -39.5 92.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 109.395 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.98 -40.0 87.65 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.176 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.59 -19.73 65.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.982 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' B' ' 37' ' ' ARG . 48.1 mtt-85 -90.34 1.89 56.1 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.383 -0.823 . . . . 0.0 110.83 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.4 4.41 43.66 Favored Glycine 0 N--CA 1.504 3.174 0 O-C-N 121.079 -1.013 . . . . 0.0 111.806 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.82 73.28 1.16 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.859 -1.377 . . . . 0.0 108.242 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -81.3 -12.81 58.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.524 -0.735 . . . . 0.0 110.045 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.11 150.84 50.34 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.469 -0.769 . . . . 0.0 109.252 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.01 94.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 111.449 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -58.4 -19.05 32.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.727 -1.233 . . . . 0.0 111.543 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.6 t -78.25 -31.8 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.423 -1.423 . . . . 0.0 107.552 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.38 -34.13 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.665 HD22 ' CE ' ' B' ' 15' ' ' MET . 31.1 tp -59.97 -38.84 83.67 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.68 97.24 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.04 -40.39 89.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.949 -1.324 . . . . 0.0 108.935 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -39.19 83.03 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.83 -29.47 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.362 -0.836 . . . . 0.0 110.472 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.63 15.44 9.52 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.028 . . . . 0.0 110.412 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.79 34.99 5.76 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.789 -1.194 . . . . 0.0 110.04 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 60.89 20.39 10.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.684 -0.635 . . . . 0.0 111.617 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -67.71 118.23 10.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.333 -1.479 . . . . 0.0 108.079 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -64.35 -40.29 95.57 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.39 -0.819 . . . . 0.0 112.925 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.553 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 91.9 m-20 -70.02 -40.29 75.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.627 -1.296 . . . . 0.0 110.46 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.59 -40.01 73.5 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.6 -49.44 71.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.553 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -61.26 -43.41 98.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.049 -1.032 . . . . 0.0 111.043 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.3 -34.18 77.73 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.581 -1.325 . . . . 0.0 108.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.4 -48.48 81.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.34 -50.29 54.29 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 110.538 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -60.18 -48.62 80.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 110.123 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.28 -26.82 64.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 109.607 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -80.12 -33.44 38.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 111.168 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -132.96 -24.88 1.87 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.65 -1.281 . . . . 0.0 112.535 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.63 13.95 24.72 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 152.64 2.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.167 -1.196 . . . . 0.0 109.416 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -87.67 168.88 12.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.939 -1.101 . . . . 0.0 109.963 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -31.85 70.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.528 -0.733 . . . . 0.0 110.568 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -39.96 67.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.47 -37.36 84.96 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.508 -0.745 . . . . 0.0 110.486 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.13 -38.58 88.5 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.17 -0.956 . . . . 0.0 109.784 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -60.82 -38.09 84.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.986 -1.071 . . . . 0.0 110.244 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.39 -40.01 81.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.557 -1.339 . . . . 0.0 110.687 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -69.01 -39.98 78.97 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.837 -1.164 . . . . 0.0 110.088 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.33 -59.56 5.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.67 -1.269 . . . . 0.0 110.069 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.19 78.2 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.65 -48.14 67.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.948 -1.325 . . . . 0.0 109.171 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.08 -40.09 75.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 109.467 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -63.45 -40.75 97.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.963 -1.086 . . . . 0.0 110.341 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.511 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.4 mt-10 -69.74 -38.86 77.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.987 -1.07 . . . . 0.0 110.182 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.594 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -60.5 -44.86 95.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.676 -1.265 . . . . 0.0 108.65 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.58 -40.07 90.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.58 -0.7 . . . . 0.0 109.314 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.18 -32.72 70.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.427 -0.796 . . . . 0.0 109.596 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.38 -35.65 18.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.181 -0.95 . . . . 0.0 110.499 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.594 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.8 m-85 -106.54 -86.09 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.304 -0.873 . . . . 0.0 110.226 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 120.955 -1.09 . . . . 0.0 108.722 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.68 -50.43 73.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.999 -1.063 . . . . 0.0 110.464 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -32.81 71.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.044 -1.035 . . . . 0.0 110.104 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.23 -36.99 69.26 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.449 -0.782 . . . . 0.0 110.098 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.89 -40.87 78.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.589 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.38 16.51 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.081 -1.012 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.36 -4.67 9.39 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.08 150.69 28.01 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 120.885 -1.134 . . . . 0.0 109.807 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.53 164.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.185 1.924 . . . . 0.0 111.984 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.44 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 13.6 ptp -91.44 -19.16 23.15 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.033 -1.042 . . . . 0.0 109.773 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.49 -141.58 5.8 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.01 26.1 10.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.496 -1.002 . . . . 0.0 110.069 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' H ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.34 150.15 80.93 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 120.92 -1.113 . . . . 0.0 108.18 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -62.32 153.28 71.41 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.59 2.193 . . . . 0.0 113.027 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 21' ' ' GLY . 8.1 p -53.97 -46.16 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-O 121.517 0.675 . . . . 0.0 110.244 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.97 -2.49 0.37 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . 78.8 p -81.14 -24.45 37.62 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.914 -1.344 . . . . 0.0 109.093 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.38 138.38 58.43 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.791 0.805 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -65.31 134.91 54.6 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.424 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.544 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.9 -17.5 56.22 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -100.1 118.9 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 174.07 35.24 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.21 -39.98 84.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -1.013 . . . . 0.0 110.314 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.1 t -69.25 -44.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.821 -1.175 . . . . 0.0 109.198 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.23 -39.88 86.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.1 96.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.24 -39.26 92.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.245 -1.15 . . . . 0.0 110.968 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.01 -41.58 90.82 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.603 -1.31 . . . . 0.0 110.298 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.98 -40.02 91.83 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.068 -1.02 . . . . 0.0 109.483 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.8 -40.1 91.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.846 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.53 -20.02 63.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -88.68 -0.06 56.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 109.872 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.96 38.67 3.54 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.76 72.08 1.48 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -79.48 -15.04 58.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.427 -0.796 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 67.5 mmtt -131.74 152.26 51.05 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.047 -1.033 . . . . 0.0 110.03 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.581 -0.699 . . . . 0.0 111.748 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 26.9 p90 -58.75 -18.59 32.95 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.731 -1.23 . . . . 0.0 111.357 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.61 -31.32 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.59 -1.318 . . . . 0.0 107.932 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.26 -34.71 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 15' ' ' MET . 40.5 tp -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.46 98.2 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.31 -43.51 96.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.059 -1.259 . . . . 0.0 109.022 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 50' ' ' LEU . 92.8 mt -68.4 -37.66 80.55 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.83 -29.41 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.45 14.28 10.06 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.155 -0.966 . . . . 0.0 110.516 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 48.16 36.61 6.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.644 -1.285 . . . . 0.0 109.989 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 mttm 60.25 20.48 9.91 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.628 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.65 112.59 4.85 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.613 -1.305 . . . . 0.0 108.394 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -41.9 97.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.415 -0.803 . . . . 0.0 113.15 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.7 m-20 -68.88 -39.92 79.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.528 -1.357 . . . . 0.0 110.473 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.12 -38.73 75.65 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.063 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.52 -48.95 75.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.368 -0.832 . . . . 0.0 109.847 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 78.7 mtm180 -59.96 -47.01 87.57 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.177 -0.952 . . . . 0.0 111.093 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.78 -38.06 89.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.867 -1.145 . . . . 0.0 108.748 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.16 -48.63 77.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.572 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.14 -47.61 64.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.962 -1.086 . . . . 0.0 111.147 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -62.03 -47.45 84.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.934 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.0 t0 -68.34 -28.21 66.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.574 -0.704 . . . . 0.0 109.629 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 m -79.31 -34.55 42.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.221 -0.924 . . . . 0.0 111.296 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -132.42 -31.34 1.41 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.482 -1.386 . . . . 0.0 112.221 -177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.3 15.64 11.27 Favored Glycine 0 N--CA 1.502 3.077 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.05 152.87 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.12 -1.223 . . . . 0.0 109.749 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.57 172.12 8.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.11 -0.994 . . . . 0.0 110.151 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.49 75.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.533 -0.729 . . . . 0.0 111.464 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -71.98 -39.99 68.89 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.592 -1.317 . . . . 0.0 110.041 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.7 mm100 -66.55 -38.2 86.6 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.518 -0.739 . . . . 0.0 110.293 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -66.8 -37.19 84.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.966 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -60.03 -39.3 85.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.88 -1.138 . . . . 0.0 109.58 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.16 -40.0 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.828 -1.17 . . . . 0.0 110.807 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -67.83 -39.94 83.82 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.958 -1.089 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.92 -60.9 3.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.842 -1.161 . . . . 0.0 110.325 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.93 83.93 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 48.1 t -68.81 -49.07 61.57 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.136 -1.214 . . . . 0.0 109.712 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.95 -40.07 75.66 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.227 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.31 -40.02 92.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -0.978 . . . . 0.0 109.511 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.87 -39.43 76.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -0.965 . . . . 0.0 110.867 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.4 t90 -60.9 -43.05 99.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.558 -1.339 . . . . 0.0 108.631 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.482 -0.761 . . . . 0.0 109.549 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.25 -32.21 69.79 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.435 -0.791 . . . . 0.0 110.265 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -34.43 19.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.137 -0.977 . . . . 0.0 110.386 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.6 m-85 . . . . . 0 N--CA 1.496 1.861 0 O-C-N 121.316 -0.865 . . . . 0.0 110.896 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.958 0.408 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.59 -50.48 73.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.045 -1.034 . . . . 0.0 110.441 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.09 -32.71 70.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.968 . . . . 0.0 110.102 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -72.32 -37.13 69.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.71 -40.84 79.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.66 16.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.001 . . . . 0.0 109.923 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.6 -4.77 9.26 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.653 -0.654 . . . . 0.0 110.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.02 150.57 27.83 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.916 -1.115 . . . . 0.0 109.853 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -44.5 164.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.042 1.828 . . . . 0.0 112.038 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.489 ' HE2' ' HB3' ' B' ' 15' ' ' MET . 13.6 ptp -91.41 -19.0 23.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -0.99 . . . . 0.0 109.815 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.36 -141.75 5.54 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -106.77 26.02 10.53 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.965 . . . . 0.0 110.111 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -61.33 150.18 80.76 Favored Pre-proline 0 C--N 1.303 -1.43 0 O-C-N 121.015 -1.053 . . . . 0.0 108.249 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -62.22 153.33 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.598 2.199 . . . . 0.0 113.045 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.563 HG13 ' N ' ' B' ' 21' ' ' GLY . 8.0 p -54.08 -46.09 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.456 0.645 . . . . 0.0 110.204 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.563 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.1 -2.28 0.37 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' B' ' 20' ' ' VAL . 79.3 p -81.32 -24.47 37.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.033 -1.275 . . . . 0.0 109.069 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.34 138.21 58.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.703 0.763 . . . . 0.0 109.83 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -65.33 134.81 54.38 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.859 -0.737 . . . . 0.0 109.578 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.54 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.87 -17.22 56.66 Favored Glycine 0 N--CA 1.498 2.803 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -100.21 118.9 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 174.05 35.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.27 -39.95 84.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.428 -1.042 . . . . 0.0 110.222 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.17 -45.05 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -39.98 87.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -0.876 . . . . 0.0 109.089 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.99 96.43 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.12 -39.59 93.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.155 -1.203 . . . . 0.0 110.924 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.84 -41.55 91.59 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.231 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.022 -1.049 . . . . 0.0 109.467 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.84 -40.01 91.25 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.861 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.54 -20.16 63.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.194 -0.941 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -88.68 0.0 56.86 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.613 -0.679 . . . . 0.0 109.91 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.98 38.64 3.54 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.88 72.19 1.49 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -79.66 -15.09 58.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.476 -0.765 . . . . 0.0 110.537 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 67.2 mmtt -131.68 152.36 50.93 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.155 -0.965 . . . . 0.0 109.98 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.18 99.0 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.58 -0.7 . . . . 0.0 111.785 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.402 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 27.0 p90 -58.94 -18.72 36.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.726 -1.234 . . . . 0.0 111.28 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.55 -31.22 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.505 -1.372 . . . . 0.0 107.919 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.3 -34.69 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' B' ' 15' ' ' MET . 41.2 tp -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.67 98.12 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.03 -43.69 95.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.104 -1.233 . . . . 0.0 108.9 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.37 -37.92 80.91 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.67 -29.31 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.347 -0.846 . . . . 0.0 110.197 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.62 14.59 9.67 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.036 -1.04 . . . . 0.0 110.477 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 47.92 36.77 6.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.626 -1.296 . . . . 0.0 110.046 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 60.16 20.36 9.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.58 -0.7 . . . . 0.0 110.651 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.54 112.72 4.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.679 -1.263 . . . . 0.0 108.353 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -42.1 97.59 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 113.057 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.7 m-20 -68.69 -39.96 80.3 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.643 -1.286 . . . . 0.0 110.432 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.16 -38.47 75.46 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.099 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.75 -48.87 75.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.0 109.811 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 78.8 mtm180 -59.97 -47.27 86.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.198 -0.939 . . . . 0.0 110.995 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.67 -37.97 88.52 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.93 -1.106 . . . . 0.0 108.709 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -63.25 -48.53 77.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 111.582 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -69.16 -47.85 63.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.947 -1.095 . . . . 0.0 111.011 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.86 -47.54 84.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.035 -1.041 . . . . 0.0 109.945 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.5 t0 -68.15 -28.25 67.14 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.617 -0.677 . . . . 0.0 109.703 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m -79.29 -34.58 42.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 111.304 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.41 -31.4 1.41 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.598 -1.314 . . . . 0.0 112.236 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 15.9 11.05 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.24 152.87 3.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.089 -1.242 . . . . 0.0 109.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.53 172.1 8.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.176 -0.952 . . . . 0.0 110.127 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.3 75.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 111.407 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -72.04 -40.1 68.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.515 -1.366 . . . . 0.0 109.995 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.7 mm100 -66.65 -37.93 85.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 110.374 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -67.0 -37.04 83.49 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.924 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.099 . . . . 0.0 109.579 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.37 -39.97 85.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.811 -1.18 . . . . 0.0 110.801 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.81 -39.92 83.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.778 -1.201 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.92 -60.75 3.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.733 -1.229 . . . . 0.0 110.335 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -32.84 83.96 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 48.7 t -68.9 -48.98 62.01 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.306 . . . . 0.0 109.766 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.06 -39.86 75.4 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.29 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.38 -39.94 92.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.134 -0.979 . . . . 0.0 109.522 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.02 -39.42 75.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.169 -0.957 . . . . 0.0 110.817 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.3 t90 -60.98 -42.91 99.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.508 -1.37 . . . . 0.0 108.665 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.408 -0.808 . . . . 0.0 109.493 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.29 -32.11 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.491 -0.756 . . . . 0.0 110.252 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.76 -34.49 19.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.135 -0.978 . . . . 0.0 110.366 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.6 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.5 m-85 -107.42 -87.59 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.313 -0.867 . . . . 0.0 110.846 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.62 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.152 0.501 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.9 t60 -60.07 -50.95 71.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.156 -0.965 . . . . 0.0 110.502 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -69.93 -33.47 72.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 110.248 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.28 -39.25 75.01 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.614 -0.678 . . . . 0.0 110.24 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -68.62 -39.94 80.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 110.939 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 7' ' ' HIS . 32.9 m -86.15 14.8 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.029 -1.044 . . . . 0.0 110.685 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.25 -7.2 11.26 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.28 -0.887 . . . . 0.0 110.558 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.22 152.64 23.73 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.902 -1.124 . . . . 0.0 109.311 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -41.86 160.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.994 1.796 . . . . 0.0 112.505 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.527 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.5 ptp -91.4 -18.92 23.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.893 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -138.66 15.21 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.1 30.01 6.58 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.4 -1.059 . . . . 0.0 110.733 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -60.59 149.6 77.87 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 120.679 -1.263 . . . . 0.0 108.938 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.92 153.15 75.11 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.49 2.126 . . . . 0.0 112.89 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' A' ' 22' ' ' SER . 1.7 p -54.11 -41.88 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.07 -3.63 1.35 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 20' ' ' VAL . 22.8 m -82.17 -20.44 37.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.989 -1.301 . . . . 0.0 109.032 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD21 ' A' ' 81' ' ' LEU . 93.3 mt -64.78 138.88 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.145 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.56 136.12 57.32 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.319 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.64 -20.0 50.03 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -98.3 117.08 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.254 . . . . 0.0 108.212 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.57 176.5 38.29 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.424 -1.471 . . . . 0.0 109.424 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 46.8 mp0 -59.03 -40.14 84.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.243 -1.151 . . . . 0.0 110.439 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.48 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.72 -1.238 . . . . 0.0 109.322 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.61 -39.4 88.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.828 . . . . 0.0 109.408 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.93 96.3 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.8 -39.91 93.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -1.053 . . . . 0.0 110.479 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.03 -43.7 78.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.774 -1.204 . . . . 0.0 109.655 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.85 -39.97 91.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 108.53 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.03 -40.86 90.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.165 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.25 64.44 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -89.68 0.24 57.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.604 -0.685 . . . . 0.0 109.809 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.38 4.63 40.59 Favored Glycine 0 N--CA 1.505 3.243 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.149 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.37 75.55 1.25 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.797 -1.414 . . . . 0.0 109.546 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -83.5 -13.84 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.323 -0.86 . . . . 0.0 110.517 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.94 150.79 50.23 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.02 94.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 111.867 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.93 -19.74 53.48 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.521 -1.362 . . . . 0.0 111.275 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.4 -31.36 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.1 t -74.96 -39.92 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD22 ' CE ' ' A' ' 15' ' ' MET . 59.6 tp -59.84 -38.56 82.42 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.17 86.34 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.1 -45.71 92.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.196 -1.179 . . . . 0.0 109.545 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.419 -0.8 . . . . 0.0 109.049 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.74 -39.13 80.49 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.84 -26.88 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -87.96 13.01 11.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.184 -0.947 . . . . 0.0 110.316 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.66 38.99 12.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.765 -1.209 . . . . 0.0 110.437 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 59.99 20.08 9.16 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 110.587 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.73 106.94 2.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.394 -1.442 . . . . 0.0 108.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 60' ' ' ARG . 34.0 tt0 -64.51 -40.03 94.89 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.26 -0.9 . . . . 0.0 112.525 -178.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.599 -1.313 . . . . 0.0 109.602 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.95 -39.3 76.13 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.238 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.23 -49.49 71.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.479 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 56' ' ' GLU . 99.1 mtt180 -60.01 -47.38 86.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.41 -0.806 . . . . 0.0 110.586 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.65 -36.53 84.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.88 -1.137 . . . . 0.0 109.329 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -67.07 -43.56 82.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.684 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.9 -49.38 58.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 110.864 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -61.56 -46.82 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.85 -27.07 65.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.825 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.6 m -80.26 -34.69 36.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 111.426 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -131.72 -29.89 1.68 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.548 -1.345 . . . . 0.0 112.381 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.07 14.45 24.54 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 155.22 3.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -1.176 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -88.32 169.2 12.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.18 70.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.524 -0.735 . . . . 0.0 111.309 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.46 -40.44 70.33 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.583 -1.323 . . . . 0.0 110.056 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.67 -39.6 88.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.419 -0.8 . . . . 0.0 110.127 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.4 m -65.01 -39.81 93.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.817 . . . . 0.0 110.65 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -60.09 -36.75 78.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.722 -1.236 . . . . 0.0 109.721 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.88 -39.68 83.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.586 -1.321 . . . . 0.0 110.787 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.12 -39.9 82.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.805 -1.184 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.67 -60.91 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.725 -1.234 . . . . 0.0 110.05 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.51 -32.04 81.76 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.87 -49.62 56.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.852 -1.381 . . . . 0.0 109.645 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 23' ' ' LEU . 91.1 mt -70.05 -40.04 75.35 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.314 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.24 -40.7 95.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.004 -1.06 . . . . 0.0 110.172 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.09 -37.3 75.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.435 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.3 t90 -59.99 -45.33 93.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.739 -1.225 . . . . 0.0 108.308 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.54 -40.05 93.27 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.96 -33.59 72.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.39 -0.819 . . . . 0.0 109.558 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.47 -37.08 20.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.854 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.0 m-85 . . . . . 0 N--CA 1.498 1.936 0 O-C-N 121.36 -0.837 . . . . 0.0 110.519 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.426 ' O ' HG22 ' B' ' 11' ' ' VAL . 68.9 t60 -59.94 -50.96 71.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.928 . . . . 0.0 110.471 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -70.08 -33.25 71.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -70.48 -39.06 74.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 110.226 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.7 -40.13 80.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.925 . . . . 0.0 110.818 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 7' ' ' HIS . 32.9 m -85.87 14.7 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 110.699 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.24 -7.23 11.26 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.233 -0.917 . . . . 0.0 110.602 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.12 152.82 24.27 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.834 -1.166 . . . . 0.0 109.238 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -41.86 159.9 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.107 1.871 . . . . 0.0 112.474 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.54 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.5 ptp -91.33 -19.01 23.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.265 -0.897 . . . . 0.0 109.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.16 -138.69 15.63 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.18 30.01 6.59 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -1.027 . . . . 0.0 110.732 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.83 149.51 80.1 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.817 -1.177 . . . . 0.0 108.899 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.8 153.17 74.43 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.458 2.105 . . . . 0.0 113.001 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' B' ' 22' ' ' SER . 1.8 p -54.12 -41.94 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.548 -0.72 . . . . 0.0 110.051 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.95 -3.76 1.35 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.6 m -82.07 -20.13 38.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.859 -1.377 . . . . 0.0 109.118 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.541 HD22 HD21 ' B' ' 81' ' ' LEU . 93.4 mt -64.97 138.86 58.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.113 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 136.28 57.42 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.266 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.55 -20.06 49.91 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.7 mm -98.22 116.98 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.098 -1.237 . . . . 0.0 108.268 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.52 176.5 38.36 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 46.7 mp0 -59.1 -40.02 84.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -1.136 . . . . 0.0 110.512 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.21 -45.55 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 109.299 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.6 -39.45 88.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -0.81 . . . . 0.0 109.432 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.85 96.29 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -1.084 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -67.89 -43.75 78.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.779 -1.201 . . . . 0.0 109.648 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.06 -39.87 91.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.162 -0.961 . . . . 0.0 108.506 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.06 -40.76 90.59 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.198 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.11 64.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 108.952 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.74 0.15 57.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.573 -0.704 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 4.56 40.56 Favored Glycine 0 N--CA 1.504 3.222 0 O-C-N 121.205 -0.935 . . . . 0.0 112.132 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.13 75.55 1.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.669 -1.489 . . . . 0.0 109.59 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -83.37 -13.92 53.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.272 -0.892 . . . . 0.0 110.43 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.84 150.8 50.18 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.267 -0.895 . . . . 0.0 108.991 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.9 94.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.382 -0.824 . . . . 0.0 111.756 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -59.98 -19.85 54.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.56 -1.337 . . . . 0.0 111.405 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -77.95 -31.66 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.4 t -74.92 -39.88 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.0 -38.54 82.9 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.02 -42.11 86.37 Favored Glycine 0 N--CA 1.483 1.805 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.07 -45.64 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.12 -1.224 . . . . 0.0 109.618 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.92 -40.14 87.82 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.406 -0.809 . . . . 0.0 109.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.68 -39.21 80.69 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.85 -26.76 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 110.139 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -87.94 12.99 11.85 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.111 -0.993 . . . . 0.0 110.298 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.77 38.87 12.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.575 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.572 -0.705 . . . . 0.0 110.578 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -68.64 106.72 2.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.448 -1.408 . . . . 0.0 108.467 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.468 ' CD ' ' NH2' ' B' ' 60' ' ' ARG . 33.8 tt0 -64.6 -40.0 94.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.901 . . . . 0.0 112.443 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.13 -40.0 86.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.642 -1.286 . . . . 0.0 109.616 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.98 -39.37 75.98 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.145 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.05 -49.4 72.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.0 109.632 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' CD ' ' B' ' 56' ' ' GLU . 99.1 mtt180 -60.13 -47.4 86.06 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.509 -0.744 . . . . 0.0 110.526 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.55 -36.67 84.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.848 -1.157 . . . . 0.0 109.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -66.96 -43.69 82.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 110.691 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.96 -49.34 58.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.98 -1.075 . . . . 0.0 110.849 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.58 -46.76 88.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -68.94 -27.09 65.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.341 -0.849 . . . . 0.0 109.752 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -80.32 -34.47 36.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 111.483 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.1 p -131.93 -29.78 1.64 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.597 -1.314 . . . . 0.0 112.286 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.89 14.58 24.56 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.32 155.17 3.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.176 -1.191 . . . . 0.0 109.926 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -88.11 169.15 12.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -0.974 . . . . 0.0 109.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -28.93 70.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 111.361 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.53 -40.3 70.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.52 -1.363 . . . . 0.0 110.029 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.8 -39.6 87.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.437 -0.789 . . . . 0.0 110.169 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -64.96 -39.83 94.08 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.312 -0.867 . . . . 0.0 110.669 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -60.04 -36.82 78.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.741 -1.224 . . . . 0.0 109.669 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.58 -39.94 84.85 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.539 -1.351 . . . . 0.0 110.784 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.91 -40.1 83.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.71 -1.244 . . . . 0.0 110.176 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.51 -60.96 2.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.75 -1.218 . . . . 0.0 110.116 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.39 -32.26 82.32 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.65 -49.78 56.42 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.918 -1.342 . . . . 0.0 109.712 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.541 HD21 HD22 ' B' ' 23' ' ' LEU . 90.9 mt -70.06 -40.07 75.29 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.31 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.99 -40.89 95.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.088 -1.007 . . . . 0.0 110.1 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.1 -37.17 75.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.166 -0.959 . . . . 0.0 110.55 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -60.1 -45.42 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.767 -1.208 . . . . 0.0 108.254 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.5 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 0.0 109.518 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.53 -36.94 20.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.154 -0.966 . . . . 0.0 109.926 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -104.08 -84.68 0.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.331 -0.856 . . . . 0.0 110.356 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.053 -1.029 . . . . 0.0 109.484 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.012 0.434 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.503 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 69.4 t60 -60.05 -52.42 65.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.91 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -70.07 -34.46 73.2 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.938 -1.101 . . . . 0.0 109.828 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.53 -0.731 . . . . 0.0 110.221 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.39 -40.0 81.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.011 -1.056 . . . . 0.0 110.22 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.13 13.71 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.083 -1.011 . . . . 0.0 110.382 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.92 -7.87 11.35 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.331 -0.856 . . . . 0.0 110.418 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.71 152.9 26.77 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.952 -1.092 . . . . 0.0 109.527 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -41.57 159.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.134 1.889 . . . . 0.0 111.991 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.702 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.6 ptp -91.27 -19.17 23.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.24 -140.93 17.47 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.63 29.62 6.42 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.429 -1.042 . . . . 0.0 110.128 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.15 149.16 83.19 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.093 -1.004 . . . . 0.0 108.35 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.53 155.83 64.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.231 1.954 . . . . 0.0 112.757 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -52.57 -43.4 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.633 -0.667 . . . . 0.0 110.238 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.57 -3.05 0.89 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 39.0 t -81.52 -21.08 38.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.743 -1.445 . . . . 0.0 109.012 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.84 139.73 58.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.414 -0.804 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.46 136.24 56.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.724 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -21.59 44.17 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.31 115.73 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.108 -1.23 . . . . 0.0 107.914 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.01 178.07 40.3 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -58.66 -40.03 82.34 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -1.085 . . . . 0.0 110.332 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.67 -44.66 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.788 -1.195 . . . . 0.0 109.356 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 27' ' ' GLY . 87.6 mt -67.02 -37.71 84.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.475 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.91 93.75 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -37.82 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -1.229 . . . . 0.0 110.31 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.08 -45.54 80.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.842 -1.161 . . . . 0.0 110.033 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.56 -38.53 87.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.211 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.0 -40.73 90.23 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.659 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.94 -19.99 65.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.183 -0.948 . . . . 0.0 109.045 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -90.04 0.99 56.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.605 -0.684 . . . . 0.0 109.763 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.24 38.7 3.95 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 121.063 -1.023 . . . . 0.0 111.0 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.43 73.77 1.51 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.122 -1.222 . . . . 0.0 108.893 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -82.55 -12.38 57.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.005 -1.059 . . . . 0.0 110.393 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.92 50.53 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.152 -0.967 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.95 94.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.422 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 30.0 p90 -60.1 -20.13 56.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.712 -1.243 . . . . 0.0 111.433 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -78.45 -32.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.415 -1.428 . . . . 0.0 107.477 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.16 -37.12 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.702 HD22 ' CE ' ' A' ' 15' ' ' MET . 33.8 tp -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.33 -42.15 93.44 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.96 -40.91 90.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.064 -1.257 . . . . 0.0 109.046 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.01 -39.96 87.64 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.14 -38.69 85.99 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.902 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.24 -28.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 111.428 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 14.42 7.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.877 -1.139 . . . . 0.0 110.821 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm 59.94 19.57 8.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.2 mttt 60.18 19.96 9.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.723 . . . . 0.0 111.219 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 124.75 23.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.463 . . . . 0.0 107.738 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.3 tt0 -64.54 -40.77 96.22 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.102 -0.999 . . . . 0.0 113.503 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.0 -39.84 75.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.533 -1.354 . . . . 0.0 110.559 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.97 -37.41 75.76 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.123 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -63.51 -45.0 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.165 -0.96 . . . . 0.0 109.763 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 96.4 mtt180 -60.04 -45.38 93.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.368 -0.832 . . . . 0.0 111.288 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.71 -36.9 84.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.759 -1.213 . . . . 0.0 109.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.74 -49.63 76.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.075 -1.016 . . . . 0.0 110.919 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.16 -46.3 71.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.954 -1.091 . . . . 0.0 110.303 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -61.11 -49.95 75.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.076 -1.015 . . . . 0.0 110.558 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.37 -26.37 64.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.431 -0.793 . . . . 0.0 109.745 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -79.92 -35.24 38.14 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.256 -0.902 . . . . 0.0 111.033 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -131.13 -27.24 2.05 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.547 -1.346 . . . . 0.0 111.95 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.67 14.86 20.44 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.33 153.92 1.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -1.213 . . . . 0.0 109.145 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -90.79 170.71 9.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.776 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.65 72.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.768 . . . . 0.0 110.847 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.41 -41.41 69.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.852 -1.155 . . . . 0.0 110.269 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -67.09 -35.54 80.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -66.92 -38.08 85.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.174 -0.954 . . . . 0.0 109.945 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.07 -38.9 87.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.862 -1.148 . . . . 0.0 110.099 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.16 -39.81 82.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.718 -1.239 . . . . 0.0 110.672 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.48 -39.95 81.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.912 -1.117 . . . . 0.0 110.204 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -60.66 -59.31 5.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.579 -1.326 . . . . 0.0 110.245 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.21 81.57 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.7 t -68.52 -48.21 64.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.07 -1.253 . . . . 0.0 109.428 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.9 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 82' ' ' ARG . 1.2 tpt180 -60.27 -40.72 91.37 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.503 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 0.0 111.434 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.2 t90 -59.95 -44.27 94.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.313 -1.492 . . . . 0.0 108.59 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.97 -39.96 93.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.643 -0.66 . . . . 0.0 109.563 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.6 -33.53 71.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.437 -0.789 . . . . 0.0 109.728 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.73 -35.59 17.83 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.302 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 82.3 m-85 . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.244 -0.91 . . . . 0.0 110.412 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.935 0.397 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.501 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 69.1 t60 -60.02 -52.46 65.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -70.07 -34.47 73.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.041 -1.037 . . . . 0.0 109.792 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.91 -39.44 72.72 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.062 -1.023 . . . . 0.0 110.365 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.14 13.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.025 -1.047 . . . . 0.0 110.274 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.09 -7.97 11.25 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.277 -0.89 . . . . 0.0 110.466 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.67 152.89 26.81 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 120.886 -1.134 . . . . 0.0 109.488 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.54 160.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.074 1.849 . . . . 0.0 112.108 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.692 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.6 ptp -91.25 -19.38 23.07 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.252 -0.905 . . . . 0.0 109.645 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.28 -140.93 17.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.64 29.68 6.37 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.418 -1.048 . . . . 0.0 110.117 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.27 149.39 82.96 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 108.289 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.63 155.56 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.286 1.991 . . . . 0.0 112.814 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.4 p -52.3 -43.32 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.655 -0.653 . . . . 0.0 110.265 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.59 -3.11 0.92 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.4 t -81.51 -21.09 38.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.798 -1.413 . . . . 0.0 109.045 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.91 139.78 58.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.514 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 136.12 56.74 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.657 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -21.41 44.88 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.46 115.63 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.223 -1.163 . . . . 0.0 107.915 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.419 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.81 178.19 40.7 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -58.75 -39.95 82.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.444 -1.033 . . . . 0.0 110.327 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.76 -44.75 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.127 . . . . 0.0 109.312 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.419 HD12 ' H ' ' B' ' 27' ' ' GLY . 87.1 mt -66.93 -37.69 84.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.98 93.96 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.52 -37.88 88.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -1.21 . . . . 0.0 110.306 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.01 -45.52 81.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.773 -1.204 . . . . 0.0 109.994 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.69 -38.52 88.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -0.991 . . . . 0.0 109.105 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.05 -40.71 90.35 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.607 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.01 -20.01 64.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.156 -0.965 . . . . 0.0 109.024 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -90.0 0.94 56.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.46 -0.775 . . . . 0.0 109.717 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.29 38.8 3.91 Favored Glycine 0 N--CA 1.499 2.894 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.965 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.48 73.76 1.5 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.167 -1.196 . . . . 0.0 108.875 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -82.62 -12.23 57.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.977 -1.077 . . . . 0.0 110.368 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.9 50.56 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.067 -1.021 . . . . 0.0 109.873 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.97 94.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.551 -0.718 . . . . 0.0 111.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 30.3 p90 -60.22 -20.03 57.01 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.647 -1.283 . . . . 0.0 111.429 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.53 -31.98 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.393 -1.442 . . . . 0.0 107.454 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -78.17 -37.21 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.692 HD22 ' CE ' ' B' ' 15' ' ' MET . 33.5 tp -59.94 -39.75 86.6 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.55 -41.97 93.8 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.05 -40.92 91.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -1.218 . . . . 0.0 108.967 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.96 -40.03 87.63 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.07 -38.76 86.35 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.25 -28.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.473 -0.767 . . . . 0.0 111.343 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.87 14.33 7.44 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.831 -1.168 . . . . 0.0 110.797 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 59.94 19.55 8.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.301 -0.875 . . . . 0.0 109.475 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 60.12 19.99 9.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.519 -0.738 . . . . 0.0 111.229 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.76 124.68 23.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.481 -1.387 . . . . 0.0 107.714 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.4 tt0 -64.57 -40.77 96.15 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.172 -0.955 . . . . 0.0 113.528 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.97 -39.86 75.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.697 -1.252 . . . . 0.0 110.612 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.39 75.86 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.113 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.5 -44.9 93.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 109.814 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 96.4 mtt180 -60.11 -45.48 92.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.803 . . . . 0.0 111.223 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.6 -36.97 85.28 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.702 -1.249 . . . . 0.0 109.262 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.65 -49.64 76.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.19 -46.47 70.56 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.107 -0.996 . . . . 0.0 110.265 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.05 -49.96 75.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.126 -0.984 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.24 -26.4 64.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.865 . . . . 0.0 109.736 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.3 m -79.99 -35.21 37.8 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.206 -0.934 . . . . 0.0 111.132 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.99 -27.32 2.07 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.644 -1.285 . . . . 0.0 111.92 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.47 15.05 20.32 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 153.76 1.93 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.01 -1.288 . . . . 0.0 109.104 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.58 170.7 9.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.109 -0.994 . . . . 0.0 109.802 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.65 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.468 -0.77 . . . . 0.0 110.853 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.3 -41.47 69.9 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.701 -1.249 . . . . 0.0 110.202 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.07 -35.84 80.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 0.0 110.508 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 19.5 p -66.67 -38.11 86.15 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.09 -38.81 87.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.852 -1.155 . . . . 0.0 110.119 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.07 -39.95 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.717 -1.239 . . . . 0.0 110.68 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.44 -40.12 81.27 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.887 -1.133 . . . . 0.0 110.126 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.42 -59.29 5.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.21 81.8 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.096 -1.05 . . . . 0.0 110.484 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.8 t -68.49 -48.23 64.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.11 -1.23 . . . . 0.0 109.4 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.921 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 82' ' ' ARG . 1.2 tpt180 -60.21 -40.77 91.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.141 -0.974 . . . . 0.0 109.185 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.501 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -39.98 75.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 111.531 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.14 -44.08 95.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.217 -1.552 . . . . 0.0 108.559 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.01 -39.99 94.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.518 -0.739 . . . . 0.0 109.541 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.66 -33.46 71.57 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.464 -0.773 . . . . 0.0 109.738 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.77 -35.53 17.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 82.1 m-85 -105.28 -85.72 0.48 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.329 -0.857 . . . . 0.0 110.366 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.856 -1.153 . . . . 0.0 108.72 -179.459 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.66 -49.3 78.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.072 -1.018 . . . . 0.0 110.522 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.93 -31.03 68.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.11 -0.994 . . . . 0.0 110.328 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.5 -39.97 73.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.166 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -67.2 -42.25 84.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 110.483 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.9 14.77 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.071 -1.018 . . . . 0.0 110.03 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.65 -9.8 13.71 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.425 -0.797 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.65 153.15 28.56 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.843 -1.16 . . . . 0.0 109.959 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.74 160.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.81 1.673 . . . . 0.0 111.373 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.3 ptp -88.93 -19.97 25.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.964 -1.085 . . . . 0.0 109.496 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.58 -142.65 11.25 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.63 28.89 5.67 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.582 -0.952 . . . . 0.0 110.377 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.75 88.67 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 120.99 -1.069 . . . . 0.0 108.443 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.4 159.45 50.28 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.403 2.069 . . . . 0.0 112.746 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.5 p -55.7 -46.08 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.694 -0.629 . . . . 0.0 111.081 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.67 -2.9 0.36 Allowed Glycine 0 N--CA 1.492 2.423 0 O-C-N 121.33 -0.856 . . . . 0.0 110.987 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.8 m -81.0 -18.19 47.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.735 -1.45 . . . . 0.0 109.564 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.86 136.44 56.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -66.29 139.7 58.08 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.32 60.13 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -97.41 118.0 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.73 169.35 40.67 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -1.07 . . . . 0.0 110.106 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.44 -42.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.925 -1.11 . . . . 0.0 109.424 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.78 -38.76 87.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.324 -0.86 . . . . 0.0 109.709 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.84 96.24 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.24 -38.89 90.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.147 . . . . 0.0 110.602 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.91 -42.3 90.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.684 -1.26 . . . . 0.0 109.978 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.16 -39.02 91.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.044 -1.035 . . . . 0.0 109.482 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.188 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.55 -19.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 109.191 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.29 -2.06 58.39 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.82 2.03 36.75 Favored Glycine 0 N--CA 1.505 3.278 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.538 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -102.09 75.49 1.52 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.878 -1.366 . . . . 0.0 108.196 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -78.81 -12.37 60.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.528 -0.732 . . . . 0.0 110.757 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.69 159.48 42.0 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.981 -1.074 . . . . 0.0 110.137 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.25 90.3 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -57.22 -18.42 15.84 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.239 -1.538 . . . . 0.0 111.459 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.97 -33.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.494 -1.379 . . . . 0.0 108.461 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.29 -39.9 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.97 -38.49 82.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.71 -41.58 90.33 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.09 -42.81 95.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -1.176 . . . . 0.0 108.995 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.19 -0.944 . . . . 0.0 109.021 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.39 -38.76 78.13 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.22 -22.52 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.33 13.54 15.18 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.066 -1.021 . . . . 0.0 110.92 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.49 39.58 13.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.581 -1.325 . . . . 0.0 109.977 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.04 19.99 9.15 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.227 -0.921 . . . . 0.0 110.778 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -66.91 106.95 2.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.387 -1.446 . . . . 0.0 108.122 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.2 -40.64 98.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.397 -0.815 . . . . 0.0 112.426 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.2 m-20 -69.54 -39.31 77.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.764 -1.21 . . . . 0.0 109.993 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.02 -38.85 76.02 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.038 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -63.58 -50.08 70.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.195 -0.941 . . . . 0.0 109.974 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.4 mtm180 -61.4 -45.63 93.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.42 -0.8 . . . . 0.0 110.887 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.64 -36.66 83.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.108 . . . . 0.0 108.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -63.76 -46.44 85.3 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.94 -48.29 63.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.188 -0.945 . . . . 0.0 111.112 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.38 -49.06 78.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 110.576 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.02 -26.11 63.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 110.013 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -80.46 -34.21 36.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 110.902 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.61 -31.84 1.76 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.649 -1.282 . . . . 0.0 111.661 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.1 15.88 13.55 Favored Glycine 0 N--CA 1.499 2.894 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.78 2.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.126 -1.22 . . . . 0.0 109.622 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.71 172.12 8.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.235 -0.916 . . . . 0.0 110.196 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.7 75.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 110.868 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.28 73.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.696 -1.253 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.61 -40.03 88.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.328 -0.857 . . . . 0.0 110.322 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.1 m -64.11 -39.29 93.73 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.32 -0.862 . . . . 0.0 110.643 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -59.99 -38.22 81.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.71 -1.244 . . . . 0.0 109.593 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.74 -38.78 83.97 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.803 -1.185 . . . . 0.0 110.658 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.09 -39.92 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.9 -1.125 . . . . 0.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.66 -60.02 4.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.494 -1.379 . . . . 0.0 110.013 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.69 73.42 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 49.7 t -69.99 -50.15 44.47 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.172 -1.193 . . . . 0.0 109.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.74 -41.24 68.71 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.488 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.64 -40.7 95.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.363 -0.836 . . . . 0.0 110.726 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -70.19 -36.92 74.96 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.7 t90 -60.55 -45.99 91.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.52 -1.363 . . . . 0.0 108.512 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.03 -40.03 87.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.533 -0.729 . . . . 0.0 110.18 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -59.89 -31.22 69.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.067 -1.021 . . . . 0.0 109.982 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.31 -33.24 15.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.047 -1.033 . . . . 0.0 110.76 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 . . . . . 0 N--CA 1.503 2.189 0 O-C-N 121.277 -0.89 . . . . 0.0 112.067 -177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.75 -49.25 78.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 110.446 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.04 -30.98 68.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.117 -0.989 . . . . 0.0 110.281 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.46 -40.04 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.918 . . . . 0.0 110.21 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -67.21 -42.24 84.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.89 14.89 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.085 -1.01 . . . . 0.0 110.007 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.88 -9.74 13.62 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.453 -0.779 . . . . 0.0 110.505 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.57 153.07 28.54 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 120.857 -1.152 . . . . 0.0 109.905 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -42.7 160.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 121.8 1.667 . . . . 0.0 111.405 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.514 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.3 ptp -89.18 -20.04 24.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 109.398 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.62 -142.62 11.46 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.8 29.04 5.63 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -1.001 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.68 88.77 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.045 -1.035 . . . . 0.0 108.449 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.38 159.48 50.05 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.353 2.035 . . . . 0.0 112.78 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.75 -46.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.691 -0.631 . . . . 0.0 111.02 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.5 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.56 -2.99 0.35 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.6 m -81.01 -18.11 47.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.724 -1.456 . . . . 0.0 109.611 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.79 136.42 56.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.147 -0.97 . . . . 0.0 109.791 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -66.3 139.72 58.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.644 0.735 . . . . 0.0 110.11 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.31 60.14 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.43 118.14 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.72 169.38 40.73 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.98 -39.95 75.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -1.057 . . . . 0.0 110.168 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.49 -42.54 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.975 -1.078 . . . . 0.0 109.459 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.9 -38.67 86.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.298 -0.876 . . . . 0.0 109.68 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.89 96.29 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.2 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.276 -1.131 . . . . 0.0 110.629 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.83 -42.47 90.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.635 -1.291 . . . . 0.0 109.912 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.05 -39.01 90.9 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.188 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.52 -19.28 63.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.24 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.31 -2.05 58.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.567 -0.708 . . . . 0.0 110.082 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.79 1.92 36.82 Favored Glycine 0 N--CA 1.504 3.193 0 O-C-N 121.1 -1.0 . . . . 0.0 111.606 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -101.95 75.5 1.54 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.983 -1.304 . . . . 0.0 108.181 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -78.82 -12.41 60.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 110.745 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.66 159.5 41.95 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.979 -1.076 . . . . 0.0 110.134 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.18 90.74 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -57.3 -18.39 16.55 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.281 -1.512 . . . . 0.0 111.412 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -80.01 -33.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.555 -1.341 . . . . 0.0 108.42 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.21 -40.0 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.514 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.0 tp -60.03 -38.37 82.5 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.61 90.28 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.08 -42.83 95.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -1.216 . . . . 0.0 108.926 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.253 -0.904 . . . . 0.0 109.063 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.45 -38.84 77.98 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.745 -0.782 . . . . 0.0 108.895 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -22.65 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.348 -0.845 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.31 13.59 14.99 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.131 -0.981 . . . . 0.0 110.865 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.5 39.51 13.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.611 -1.306 . . . . 0.0 110.004 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.05 19.96 9.13 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.296 -0.877 . . . . 0.0 110.798 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.82 106.88 2.0 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.358 -1.464 . . . . 0.0 108.175 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -40.71 98.41 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.373 -0.829 . . . . 0.0 112.445 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.494 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.2 m-20 -69.4 -39.37 77.97 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.765 -1.209 . . . . 0.0 110.089 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.96 -38.87 76.22 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.059 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.66 -49.99 71.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.925 . . . . 0.0 109.957 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.4 mtm180 -61.46 -45.66 93.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 110.797 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.55 -36.74 83.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.884 -1.135 . . . . 0.0 108.818 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -63.81 -46.34 85.58 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.0 -48.27 63.49 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.162 -0.961 . . . . 0.0 111.136 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.39 -49.2 77.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.051 -1.03 . . . . 0.0 110.555 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -69.86 -26.17 64.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.999 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.5 m -80.36 -34.41 36.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.046 -1.034 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.4 -31.9 1.8 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.734 -1.229 . . . . 0.0 111.704 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.05 16.0 13.38 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.74 2.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.107 -1.231 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.64 172.13 8.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.234 -0.916 . . . . 0.0 110.221 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.68 75.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.541 -0.725 . . . . 0.0 110.921 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.18 73.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.575 -1.328 . . . . 0.0 110.088 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.65 -39.98 88.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 110.389 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 66.1 m -64.22 -39.22 93.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.354 -0.841 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -60.02 -38.17 81.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.787 -1.195 . . . . 0.0 109.631 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.8 -38.71 83.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.76 -1.213 . . . . 0.0 110.74 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -66.99 -40.05 87.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.793 -1.192 . . . . 0.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.64 -59.99 4.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.53 -1.356 . . . . 0.0 109.978 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -31.7 73.32 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 49.8 t -70.02 -50.14 44.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.7 -41.25 68.84 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.519 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.63 -40.8 96.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 110.631 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -70.04 -37.04 75.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.564 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.6 t90 -60.53 -46.04 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.582 -1.324 . . . . 0.0 108.482 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' B' ' 89' ' ' LEU . 88.5 m -59.96 -40.09 87.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 0.0 110.173 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.8 -31.3 69.58 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.041 -1.037 . . . . 0.0 109.971 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.3 -33.18 15.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.153 -0.967 . . . . 0.0 110.758 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.9 m-85 -111.05 2.77 18.14 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.281 -0.887 . . . . 0.0 112.003 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 85' ' ' CYS . 6.6 tp . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.77 -1.206 . . . . 0.0 109.219 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.238 0.542 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.512 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.8 t60 -58.45 -49.97 75.4 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.964 -1.085 . . . . 0.0 110.089 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 83.9 mtm180 -69.97 -32.72 71.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.251 -0.906 . . . . 0.0 110.302 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.34 -39.94 95.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 108.556 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -61.42 -52.39 64.75 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.92 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' CA ' ' A' ' 84' ' ' TRP . 27.2 m -88.79 5.79 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.238 -0.914 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -99.51 -21.0 16.12 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.881 -1.137 . . . . 0.0 109.359 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.87 152.02 36.21 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 159.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.592 1.528 . . . . 0.0 111.099 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.4 ptp -87.42 -23.85 24.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.869 -1.144 . . . . 0.0 108.837 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.91 -141.53 14.6 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.77 30.09 5.34 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.923 . . . . 0.0 110.41 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -60.01 147.97 78.6 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.9 153.97 75.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.557 2.171 . . . . 0.0 113.573 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.49 -32.27 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.33 0.586 . . . . 0.0 110.367 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.39 -4.43 51.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -83.52 -18.81 37.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.858 -1.378 . . . . 0.0 109.336 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 81' ' ' LEU . 91.6 mt -63.4 134.16 55.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 109.778 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 134.03 54.36 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.688 0.756 . . . . 0.0 109.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.72 -19.4 52.52 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -99.03 118.78 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.15 -1.206 . . . . 0.0 108.466 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.53 175.38 39.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.06 -40.05 80.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -1.052 . . . . 0.0 111.05 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.68 -41.48 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.754 -1.216 . . . . 0.0 109.356 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.02 -37.32 83.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.05 96.47 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.99 -40.07 96.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.381 -1.07 . . . . 0.0 110.707 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.04 -43.01 79.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.549 -1.344 . . . . 0.0 110.13 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.56 -39.01 89.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.893 -1.13 . . . . 0.0 108.429 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.91 -41.14 91.05 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.384 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.26 -19.59 65.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 108.686 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -90.64 1.91 56.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.52 -0.738 . . . . 0.0 109.863 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 39.02 4.06 Favored Glycine 0 N--CA 1.498 2.808 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.952 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.16 71.41 1.47 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.989 -1.301 . . . . 0.0 108.687 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -80.99 -13.17 59.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.941 . . . . 0.0 110.409 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -130.07 151.04 51.05 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.273 -0.892 . . . . 0.0 109.589 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.0 93.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.582 -0.699 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -58.28 -19.15 32.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.597 -1.314 . . . . 0.0 110.765 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -78.09 -32.58 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -75.95 -36.32 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.478 HD22 ' CE ' ' A' ' 15' ' ' MET . 23.8 tp -59.92 -38.24 81.78 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.45 98.24 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -43.6 94.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.911 -1.347 . . . . 0.0 108.843 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.98 -40.31 88.69 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -0.792 . . . . 0.0 109.101 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.13 -37.77 81.48 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.89 -29.25 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.466 -0.771 . . . . 0.0 110.445 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.66 11.84 10.02 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.015 . . . . 0.0 110.296 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 47.93 38.7 9.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.793 -1.192 . . . . 0.0 109.957 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 60.02 20.64 9.77 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.667 -0.646 . . . . 0.0 110.706 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.25 105.52 2.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.454 -1.404 . . . . 0.0 108.18 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.44 -40.04 94.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.462 -0.773 . . . . 0.0 112.349 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.26 -39.3 78.53 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.708 -1.245 . . . . 0.0 110.216 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.98 -37.81 75.85 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.27 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -63.85 -43.64 95.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.89 -47.72 84.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.999 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.44 -39.68 94.14 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.674 -1.266 . . . . 0.0 109.074 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -64.5 -47.98 76.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 111.5 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.19 -46.2 71.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.053 -1.03 . . . . 0.0 110.913 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.84 -42.06 95.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.012 -1.055 . . . . 0.0 109.762 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.02 -31.76 69.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.496 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -76.89 -36.84 56.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.427 -0.796 . . . . 0.0 111.147 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.2 p -131.92 -36.75 1.18 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.648 -1.282 . . . . 0.0 111.859 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.29 18.47 6.68 Favored Glycine 0 N--CA 1.503 3.116 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.59 152.14 5.34 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.078 -1.248 . . . . 0.0 110.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -90.95 169.97 10.45 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.791 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.98 70.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.469 -0.769 . . . . 0.0 111.003 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.04 -41.62 74.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.734 -1.229 . . . . 0.0 110.08 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.17 -37.02 83.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.4 -0.813 . . . . 0.0 110.603 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -67.12 -37.71 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 110.088 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -59.89 -38.96 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.887 -1.133 . . . . 0.0 109.582 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -67.02 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.801 -1.187 . . . . 0.0 110.535 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.94 -40.01 79.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.725 -1.234 . . . . 0.0 110.496 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.24 -60.43 3.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.681 -1.262 . . . . 0.0 110.193 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.69 72.81 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.24 -51.04 41.57 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.104 -1.233 . . . . 0.0 109.977 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 23' ' ' LEU . 88.2 mt -70.72 -40.24 72.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.864 -1.148 . . . . 0.0 109.774 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.39 -42.19 99.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.123 -0.986 . . . . 0.0 110.651 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 98.4 mt-10 -70.0 -36.09 74.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.048 -1.033 . . . . 0.0 110.584 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.554 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.0 t90 -58.92 -39.69 82.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.39 -1.444 . . . . 0.0 107.828 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.51 -39.95 92.84 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.25 -37.46 83.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.558 -0.714 . . . . 0.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.2 -40.08 14.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.068 -1.02 . . . . 0.0 110.588 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.201 -0.937 . . . . 0.0 110.213 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.138 0.494 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.507 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.8 t60 -58.42 -49.98 75.33 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.019 . . . . 0.0 110.113 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 83.9 mtm180 -69.98 -32.8 71.19 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.22 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.0 108.611 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.33 -52.45 64.64 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.999 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' B' ' 84' ' ' TRP . 27.2 m -88.64 5.47 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.248 -0.908 . . . . 0.0 111.967 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 8' ' ' ARG . . . -99.28 -20.96 16.29 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.893 -1.13 . . . . 0.0 109.292 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.84 152.07 36.41 Favored Pre-proline 0 C--N 1.302 -1.479 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.2 158.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.581 1.521 . . . . 0.0 111.026 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -87.39 -23.79 24.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.898 -1.126 . . . . 0.0 108.787 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.94 -141.38 15.06 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -104.07 30.08 5.46 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.967 . . . . 0.0 110.3 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -59.98 147.89 78.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.9 153.98 75.88 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.538 2.159 . . . . 0.0 113.554 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.45 -32.3 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 121.347 0.594 . . . . 0.0 110.467 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.3 -4.64 51.54 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -83.27 -18.92 37.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.95 -1.323 . . . . 0.0 109.396 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' B' ' 81' ' ' LEU . 91.1 mt -63.31 134.15 55.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.829 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.81 134.05 54.54 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.55 0.691 . . . . 0.0 109.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.82 -19.59 51.59 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.13 118.95 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.532 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.67 175.46 38.82 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.17 -39.99 80.28 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.379 -1.071 . . . . 0.0 111.085 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.57 -41.45 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 109.525 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.16 -37.24 83.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 109.497 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.92 96.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.16 -39.69 95.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.203 -1.175 . . . . 0.0 110.776 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.581 -1.325 . . . . 0.0 110.134 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.65 -39.04 89.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.919 -1.113 . . . . 0.0 108.329 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.03 -40.95 91.11 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.378 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.3 -19.64 65.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.255 -0.903 . . . . 0.0 108.771 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -90.45 1.64 56.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.54 -0.725 . . . . 0.0 109.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 39.01 4.02 Favored Glycine 0 N--CA 1.5 2.903 0 O-C-N 121.119 -0.988 . . . . 0.0 110.962 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -133.08 71.32 1.47 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.964 -1.315 . . . . 0.0 108.759 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -80.73 -13.3 59.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 110.475 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.95 151.0 50.99 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.171 -0.956 . . . . 0.0 109.621 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.92 93.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.602 -0.687 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -58.32 -18.79 29.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.737 -1.227 . . . . 0.0 110.862 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.3 -32.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.96 -36.29 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 23.9 tp -60.06 -38.03 81.63 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.34 98.29 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -43.72 94.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.852 -1.381 . . . . 0.0 108.838 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.01 -40.34 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.742 . . . . 0.0 109.096 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.11 -37.7 81.44 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.04 -29.22 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.396 -0.815 . . . . 0.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.58 11.59 10.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 48.18 38.46 9.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.757 -1.214 . . . . 0.0 110.053 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.98 21.08 10.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.644 -0.66 . . . . 0.0 110.692 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.49 105.14 2.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.468 -1.395 . . . . 0.0 108.141 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.07 -40.11 95.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.407 -0.808 . . . . 0.0 112.318 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.27 -39.46 78.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.795 -1.191 . . . . 0.0 110.178 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.98 -37.85 75.85 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.2 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -63.75 -43.65 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 109.801 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -59.96 -47.27 86.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.857 . . . . 0.0 111.101 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.86 -39.72 95.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.568 -1.333 . . . . 0.0 108.968 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.5 t90 -64.4 -48.05 76.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 111.438 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.21 -46.0 71.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.002 -1.061 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.91 -42.1 95.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 109.761 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.91 -32.09 70.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.452 -0.78 . . . . 0.0 109.38 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.3 m -76.62 -37.18 56.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.395 -0.815 . . . . 0.0 111.177 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.1 p -131.75 -36.49 1.22 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.674 -1.266 . . . . 0.0 111.914 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.15 18.39 6.79 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 152.09 5.26 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.097 -1.237 . . . . 0.0 110.068 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.98 170.09 10.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.709 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.01 70.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.462 -0.774 . . . . 0.0 110.947 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.12 -41.49 73.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.687 -1.258 . . . . 0.0 110.091 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.08 -37.24 83.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.338 -0.851 . . . . 0.0 110.618 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -66.89 -37.7 84.88 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.092 -1.005 . . . . 0.0 110.222 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -60.05 -39.04 84.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.437 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.93 -39.85 87.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.758 -1.214 . . . . 0.0 110.528 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.93 -40.02 79.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.715 -1.241 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.11 -60.59 3.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.654 -1.279 . . . . 0.0 110.162 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -31.75 72.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.03 -51.08 42.8 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.048 -1.266 . . . . 0.0 110.02 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' B' ' 23' ' ' LEU . 88.4 mt -70.69 -40.44 72.9 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.756 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.18 -42.28 99.13 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.068 -1.02 . . . . 0.0 110.635 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.507 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 98.5 mt-10 -69.91 -36.17 75.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.037 -1.039 . . . . 0.0 110.657 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.3 t90 -58.95 -39.66 82.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.318 -1.489 . . . . 0.0 107.768 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 63.4 m -61.54 -40.07 93.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.85 83.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.472 -0.768 . . . . 0.0 110.363 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -39.88 15.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.076 -1.015 . . . . 0.0 110.606 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.4 m-85 -103.97 -85.78 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.907 -1.121 . . . . 0.0 109.15 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 120.916 0.388 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -58.9 -50.16 75.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.992 -1.068 . . . . 0.0 110.065 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' A' ' 8' ' ' ARG . 21.8 mmm-85 -69.96 -33.26 71.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.243 -0.911 . . . . 0.0 110.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.12 -38.83 75.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -65.28 -45.28 85.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 110.074 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.104 -0.997 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.37 -11.47 15.53 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.406 -0.809 . . . . 0.0 110.607 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -153.98 151.85 25.52 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 109.336 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -40.16 162.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.258 0 C-N-CA 121.956 1.77 . . . . 0.0 111.854 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.534 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -89.84 -25.99 20.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.87 -138.77 29.56 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.53 29.67 6.34 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.49 -1.006 . . . . 0.0 110.366 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -60.86 149.53 80.21 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.976 -1.078 . . . . 0.0 108.703 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.07 156.83 64.6 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.399 2.066 . . . . 0.0 112.8 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -55.14 -44.64 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.749 -0.595 . . . . 0.0 110.63 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.39 -4.24 0.8 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 20' ' ' VAL . 67.6 m -80.99 -20.59 41.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.758 -1.436 . . . . 0.0 109.446 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.21 136.64 57.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 110.012 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 136.94 57.43 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.21 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.91 -18.01 56.46 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.9 117.01 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.364 -1.08 . . . . 0.0 108.093 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.06 174.34 38.76 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.05 -40.14 80.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -1.093 . . . . 0.0 110.586 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -42.02 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.829 -1.169 . . . . 0.0 109.528 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.49 -38.15 83.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.294 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.94 -37.2 92.27 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.85 -40.02 95.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.359 -1.083 . . . . 0.0 110.658 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.63 -44.04 83.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.544 -1.347 . . . . 0.0 109.689 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.912 -1.117 . . . . 0.0 109.236 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.11 -41.58 96.95 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.652 -0.655 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.08 -21.96 65.85 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 109.624 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.11 2.41 55.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.192 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.61 3.85 32.42 Favored Glycine 0 N--CA 1.506 3.342 0 O-C-N 120.832 -1.168 . . . . 0.0 112.105 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.09 74.51 1.21 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.731 -1.452 . . . . 0.0 108.852 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -80.14 -10.74 59.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.705 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -137.03 158.17 45.07 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.966 -1.084 . . . . 0.0 110.459 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -40.55 89.48 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.79 -18.75 34.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.219 -1.551 . . . . 0.0 110.99 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -79.15 -35.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.556 -1.34 . . . . 0.0 107.926 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.07 -39.4 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD22 ' CE ' ' A' ' 15' ' ' MET . 54.2 tp -59.97 -39.02 84.24 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.57 -43.83 53.32 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.12 -40.89 91.27 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.211 -1.17 . . . . 0.0 108.862 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.4 -39.9 88.99 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.211 -0.93 . . . . 0.0 108.526 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' B' ' 50' ' ' LEU . 73.6 mt -67.36 -39.75 85.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.78 -31.18 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.432 -0.792 . . . . 0.0 110.597 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.55 15.55 7.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 110.097 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 48.06 39.35 11.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.939 -1.101 . . . . 0.0 110.296 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 60.06 20.01 9.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.456 -0.777 . . . . 0.0 110.66 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.38 114.31 5.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.646 -1.284 . . . . 0.0 108.187 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.99 -42.66 94.31 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.0 m-20 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.446 -1.409 . . . . 0.0 110.678 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.74 -38.86 76.98 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.034 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.64 -49.97 71.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.175 -0.953 . . . . 0.0 109.954 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 82.4 mtm180 -60.05 -43.77 95.15 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.249 -0.907 . . . . 0.0 110.491 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.59 -37.48 87.47 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.958 -1.089 . . . . 0.0 108.929 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.405 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -63.92 -47.32 81.0 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.435 -0.791 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.26 -48.29 65.47 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 110.572 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.1 -47.29 86.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.156 -0.965 . . . . 0.0 109.914 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 30.9 t0 -69.22 -29.74 67.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.526 -0.734 . . . . 0.0 109.563 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -78.8 -35.21 44.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 0.0 111.137 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.42 -28.95 2.04 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.12 14.6 22.16 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.87 1.64 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.159 -1.2 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -90.67 172.43 8.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.059 -1.026 . . . . 0.0 110.203 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.53 75.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.645 -0.659 . . . . 0.0 110.468 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.07 -40.37 71.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.786 -1.196 . . . . 0.0 109.742 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.68 -38.36 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.398 -0.814 . . . . 0.0 110.422 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -66.42 -38.55 87.7 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.062 -1.024 . . . . 0.0 110.275 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.01 -37.08 78.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.858 -1.151 . . . . 0.0 109.467 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.0 -38.8 83.06 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.769 -1.207 . . . . 0.0 110.448 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.4 -39.94 81.47 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.805 -1.184 . . . . 0.0 109.908 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.99 -60.9 3.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.807 -1.183 . . . . 0.0 110.147 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.16 -33.05 82.76 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.0 t -69.81 -48.96 57.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.99 -40.04 75.56 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.763 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -61.9 -39.99 93.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.165 -0.96 . . . . 0.0 109.897 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -69.04 -39.0 79.46 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 110.409 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.8 t90 -60.7 -44.59 96.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.37 -1.456 . . . . 0.0 108.495 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.2 m -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.923 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.62 -32.73 70.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 110.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.16 -33.22 14.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.195 -0.941 . . . . 0.0 111.378 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.9 m-85 . . . . . 0 N--CA 1.504 2.272 0 O-C-N 121.192 -0.942 . . . . 0.0 112.617 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.958 0.408 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -58.76 -50.13 75.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.128 . . . . 0.0 110.151 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.429 ' HG3' HH11 ' B' ' 8' ' ' ARG . 21.8 mmm-85 -70.04 -33.2 71.66 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.17 -0.956 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -38.91 75.91 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.334 -0.854 . . . . 0.0 110.093 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.26 -45.19 85.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 110.036 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 109.803 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.57 -11.23 15.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.413 -0.804 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.07 151.73 25.14 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.882 -1.136 . . . . 0.0 109.357 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -40.24 162.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 121.929 1.753 . . . . 0.0 111.888 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.537 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -89.87 -25.65 20.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.45 -138.8 27.71 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.34 29.63 6.3 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.456 -1.026 . . . . 0.0 110.426 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -60.72 149.43 79.54 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 108.755 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.87 156.75 64.72 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.468 2.112 . . . . 0.0 112.885 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.469 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.3 p -55.06 -44.83 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.636 -0.665 . . . . 0.0 110.562 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.469 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.22 -4.19 0.74 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 67.0 m -81.19 -20.52 41.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.822 -1.399 . . . . 0.0 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 136.7 57.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.951 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 136.9 57.37 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.241 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.84 -17.75 56.9 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.8 mm -99.02 116.9 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.308 -1.113 . . . . 0.0 108.103 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.95 174.23 38.82 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.87 -40.35 79.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 0.0 110.55 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -41.95 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.78 -1.2 . . . . 0.0 109.582 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.38 -38.24 84.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 109.323 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.31 92.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.64 -39.9 95.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.49 -1.006 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.72 -44.0 82.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.584 -1.323 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.53 -40.11 95.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.852 -1.155 . . . . 0.0 109.225 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.4 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.87 -22.05 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.229 -0.919 . . . . 0.0 109.559 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.1 2.54 55.15 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.286 -0.884 . . . . 0.0 111.244 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 3.99 32.77 Favored Glycine 0 N--CA 1.506 3.355 0 O-C-N 120.907 -1.121 . . . . 0.0 112.127 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.22 74.46 1.19 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.729 -1.454 . . . . 0.0 108.854 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -80.06 -10.69 59.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.415 -0.803 . . . . 0.0 110.782 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -137.06 158.18 45.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.02 -1.05 . . . . 0.0 110.523 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.67 89.84 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.69 -18.93 35.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.279 -1.513 . . . . 0.0 110.998 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.95 -35.06 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.635 -1.29 . . . . 0.0 107.942 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.15 -39.34 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.537 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.4 tp -59.96 -39.14 84.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.34 -43.95 52.08 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.07 -40.85 90.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.217 -1.167 . . . . 0.0 108.815 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -60.46 -39.74 88.66 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 50' ' ' LEU . 73.9 mt -67.45 -39.88 85.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.74 -31.03 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.425 -0.797 . . . . 0.0 110.548 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 15.86 7.62 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.128 -0.982 . . . . 0.0 110.049 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 47.78 39.33 10.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.934 -1.104 . . . . 0.0 110.328 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.0 19.99 9.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.436 -0.79 . . . . 0.0 110.69 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.28 114.41 5.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.548 -1.345 . . . . 0.0 108.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.05 -42.66 94.04 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 95.9 m-20 -70.01 -39.97 75.53 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.564 -1.335 . . . . 0.0 110.64 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.87 -38.83 76.54 Favored 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.017 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.59 -49.92 71.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 110.04 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.47 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.4 mtm180 -60.04 -43.9 95.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.229 -0.919 . . . . 0.0 110.474 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.43 -37.48 87.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.945 -1.097 . . . . 0.0 108.93 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -64.11 -47.15 81.11 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.487 -0.758 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.31 -48.27 65.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 110.539 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.11 -47.08 87.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.977 . . . . 0.0 109.905 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 38.4 t0 -69.59 -29.57 67.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.452 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.9 m -78.78 -35.27 44.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 111.094 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.35 -29.18 2.03 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.684 -1.26 . . . . 0.0 111.952 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.15 14.77 21.7 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.93 153.8 1.68 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.099 -1.236 . . . . 0.0 109.447 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -90.64 172.4 8.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.992 -1.068 . . . . 0.0 110.146 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.43 75.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.566 -0.709 . . . . 0.0 110.362 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.21 -40.36 71.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.762 -1.211 . . . . 0.0 109.765 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.64 -38.41 83.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.446 -0.784 . . . . 0.0 110.45 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.0 p -66.35 -38.61 88.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.176 -0.952 . . . . 0.0 110.233 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -60.02 -37.09 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.832 -1.167 . . . . 0.0 109.508 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.0 -38.8 83.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.7 -1.25 . . . . 0.0 110.414 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.35 -39.97 81.66 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.726 -1.234 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.1 -60.77 3.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.821 -1.174 . . . . 0.0 110.196 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.03 82.89 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.61 -49.16 56.63 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.128 -1.219 . . . . 0.0 109.97 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.93 -39.98 75.81 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.896 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -61.8 -40.0 93.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.3 -0.875 . . . . 0.0 109.929 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.11 -39.03 79.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.149 -0.969 . . . . 0.0 110.364 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.8 t90 -60.73 -44.55 96.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.389 -1.444 . . . . 0.0 108.535 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' B' ' 89' ' ' LEU . 56.8 m -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.48 -0.762 . . . . 0.0 109.888 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.68 -32.76 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.267 -0.895 . . . . 0.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.13 -33.3 14.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.243 -0.91 . . . . 0.0 111.371 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.2 m-85 -111.72 0.03 16.14 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.256 -0.902 . . . . 0.0 112.58 -177.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 85' ' ' CYS . 10.6 tp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 120.726 -1.233 . . . . 0.0 109.292 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.509 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 71.0 t60 -59.39 -51.02 71.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.097 -1.002 . . . . 0.0 110.847 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -69.9 -31.98 70.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 109.883 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -70.43 -39.94 74.09 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.453 -0.779 . . . . 0.0 110.135 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -43.32 84.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.198 -0.939 . . . . 0.0 110.504 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.0 14.63 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.914 -1.116 . . . . 0.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 -11.09 12.02 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.538 -0.726 . . . . 0.0 110.76 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.81 152.45 27.01 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 120.821 -1.175 . . . . 0.0 109.282 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -41.98 161.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.917 1.745 . . . . 0.0 112.087 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.511 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.88 -20.62 22.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.79 -140.53 15.77 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -105.15 28.34 7.36 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.511 -0.993 . . . . 0.0 110.22 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.81 148.52 82.68 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 120.852 -1.155 . . . . 0.0 108.488 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.9 156.48 61.98 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.408 2.072 . . . . 0.0 112.473 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.26 -43.95 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.633 -0.667 . . . . 0.0 110.39 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.97 -4.57 0.45 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . 52.5 m -81.86 -19.71 40.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.707 -1.466 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.94 136.75 57.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.86 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 136.03 56.65 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.869 -0.733 . . . . 0.0 109.649 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.64 -16.26 58.93 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.14 117.57 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.188 -1.184 . . . . 0.0 108.208 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.59 173.18 36.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.28 -40.01 73.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -1.053 . . . . 0.0 110.664 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.03 -41.62 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.41 -38.25 84.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.66 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.84 93.43 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -65.84 -39.92 91.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.299 -1.118 . . . . 0.0 110.951 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -66.96 -42.51 85.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.656 -1.278 . . . . 0.0 109.532 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.64 -39.9 95.51 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.033 -1.042 . . . . 0.0 109.276 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.0 -40.2 88.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.665 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.11 -19.29 65.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 109.008 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.17 2.46 56.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.437 -0.789 . . . . 0.0 110.519 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.62 5.91 44.59 Favored Glycine 0 N--CA 1.503 3.145 0 O-C-N 121.052 -1.03 . . . . 0.0 111.924 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.68 73.91 1.11 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.731 -1.452 . . . . 0.0 109.018 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -81.81 -12.52 58.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.3 151.39 50.86 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.19 90.58 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.413 -0.804 . . . . 0.0 112.022 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -58.37 -19.28 34.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.545 -1.347 . . . . 0.0 110.69 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -79.18 -32.95 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.676 -1.265 . . . . 0.0 107.744 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.86 -38.76 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' HE3' ' A' ' 15' ' ' MET . 46.6 tp -59.92 -37.06 78.37 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.88 95.44 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.14 -45.29 93.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.035 -1.273 . . . . 0.0 109.556 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 108.688 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.2 -39.14 82.51 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.8 -0.76 . . . . 0.0 108.99 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.96 -25.73 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 110.503 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.09 16.6 6.91 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.443 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.3 33.4 7.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.985 -1.072 . . . . 0.0 109.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.69 20.79 10.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.403 -0.811 . . . . 0.0 110.453 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -66.37 114.76 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.66 -1.275 . . . . 0.0 107.878 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.46 -41.24 96.63 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.3 -0.875 . . . . 0.0 112.405 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.22 -40.03 78.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.555 -1.341 . . . . 0.0 109.784 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.98 -40.05 75.57 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.149 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -64.96 -50.04 67.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.193 -0.942 . . . . 0.0 109.673 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -60.03 -46.32 89.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.81 -36.23 82.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.832 -1.168 . . . . 0.0 108.836 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.421 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.09 -46.61 83.47 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.389 -0.819 . . . . 0.0 111.102 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -70.13 -50.69 38.05 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.25 -47.04 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.036 -1.04 . . . . 0.0 110.019 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.79 65.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 0.0 109.728 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 49.0 m -81.05 -33.44 33.48 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.189 -0.945 . . . . 0.0 111.622 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 p -131.47 -28.4 1.86 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.414 -1.429 . . . . 0.0 112.059 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.86 14.31 21.45 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 153.25 2.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.302 . . . . 0.0 109.021 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -90.26 171.44 9.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 110.273 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.81 73.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.714 -0.616 . . . . 0.0 110.168 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.32 -41.57 73.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.772 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 110.535 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.0 m -64.71 -39.98 94.57 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.108 -0.995 . . . . 0.0 110.692 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.37 -37.32 80.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.762 -1.211 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -67.46 -39.95 85.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.636 -1.29 . . . . 0.0 111.032 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.86 -39.96 79.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.888 -1.133 . . . . 0.0 110.855 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.44 -60.59 3.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.537 -1.352 . . . . 0.0 110.098 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.24 -30.66 71.36 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.3 t -69.02 -51.32 40.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -1.205 . . . . 0.0 109.796 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.17 -40.44 71.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.01 -1.056 . . . . 0.0 109.371 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.34 -40.68 95.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.798 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 93.6 mt-10 -69.98 -37.75 75.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 110.515 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.599 -1.313 . . . . 0.0 109.185 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.0 m -60.95 -40.02 91.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.175 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.32 -28.11 67.87 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.707 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.66 12.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.25 -0.906 . . . . 0.0 111.295 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.8 m-85 . . . . . 0 N--CA 1.505 2.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.048 0.452 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.508 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 71.0 t60 -59.65 -50.92 72.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.149 -0.97 . . . . 0.0 110.823 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -70.04 -31.81 69.63 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.919 -1.113 . . . . 0.0 109.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.56 -39.88 73.68 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.594 -0.691 . . . . 0.0 110.016 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.69 -43.34 84.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -0.944 . . . . 0.0 110.498 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.02 14.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.949 -1.095 . . . . 0.0 109.394 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.45 -11.15 11.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.576 -0.703 . . . . 0.0 110.723 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.73 152.48 27.2 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 120.889 -1.132 . . . . 0.0 109.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.06 161.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.913 1.742 . . . . 0.0 112.116 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.2 ptp -90.96 -20.42 22.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.235 -0.916 . . . . 0.0 109.403 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.47 -140.62 13.91 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.04 28.51 7.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.456 -1.026 . . . . 0.0 110.23 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -61.09 148.57 84.26 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 120.875 -1.141 . . . . 0.0 108.458 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.0 156.46 62.49 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.36 2.04 . . . . 0.0 112.53 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.35 -43.72 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.586 -0.697 . . . . 0.0 110.409 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.18 -4.33 0.47 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' VAL . 52.5 m -81.99 -19.92 39.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.717 -1.461 . . . . 0.0 109.248 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.84 136.72 57.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.175 -0.953 . . . . 0.0 109.781 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.57 136.11 56.68 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.661 0.743 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.56 -16.31 58.96 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -99.09 117.52 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.129 -1.218 . . . . 0.0 108.221 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.16 36.9 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.4 -39.99 73.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -1.069 . . . . 0.0 110.674 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.98 -41.64 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.864 -1.147 . . . . 0.0 109.815 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.3 -38.38 84.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.324 -0.86 . . . . 0.0 109.625 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -37.95 93.51 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.67 -40.04 91.96 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 110.923 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -66.82 -42.49 85.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.673 -1.267 . . . . 0.0 109.619 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.75 -39.79 95.13 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.306 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.98 -40.26 88.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.756 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.03 -19.31 65.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.272 -0.893 . . . . 0.0 108.998 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.22 2.71 56.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.519 -0.738 . . . . 0.0 110.528 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.35 5.93 45.36 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 121.027 -1.046 . . . . 0.0 111.922 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.82 73.92 1.1 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.699 -1.471 . . . . 0.0 109.0 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 30.2 p-10 -81.91 -12.36 58.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.982 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.45 151.35 51.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.07 90.09 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.425 -0.797 . . . . 0.0 112.008 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -58.37 -19.4 35.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.447 -1.408 . . . . 0.0 110.638 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -79.13 -32.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.628 -1.295 . . . . 0.0 107.775 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.01 -38.66 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.5 tp -59.92 -37.35 79.21 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.36 -41.11 94.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.07 -45.27 93.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.136 -1.214 . . . . 0.0 109.412 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.02 -39.94 87.58 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.856 . . . . 0.0 108.752 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.89 -25.58 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.221 -0.924 . . . . 0.0 110.627 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.26 16.8 6.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.953 -1.092 . . . . 0.0 109.469 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.0 33.57 6.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.025 . . . . 0.0 110.004 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.73 20.45 10.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.464 -0.773 . . . . 0.0 110.461 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -66.13 114.83 5.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.708 -1.245 . . . . 0.0 107.805 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.45 -41.37 96.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.266 -0.896 . . . . 0.0 112.462 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.09 -39.99 78.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.516 -1.365 . . . . 0.0 109.803 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.05 -40.0 75.36 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.173 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.0 -50.03 67.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.666 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -60.07 -46.49 89.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.417 -0.802 . . . . 0.0 110.777 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.74 -36.06 81.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.888 -1.133 . . . . 0.0 108.768 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.426 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -64.3 -46.45 83.53 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.491 -0.756 . . . . 0.0 111.081 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -70.15 -50.73 37.47 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.049 -1.032 . . . . 0.0 110.308 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.22 -47.09 87.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.995 . . . . 0.0 110.034 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.81 65.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.855 . . . . 0.0 109.772 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 48.8 m -81.01 -33.39 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 111.732 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.34 -28.66 1.87 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.463 -1.398 . . . . 0.0 112.078 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.05 14.45 20.74 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.58 153.37 2.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.004 -1.292 . . . . 0.0 108.993 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -90.33 171.36 9.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.052 -1.03 . . . . 0.0 110.256 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.6 73.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.705 -0.622 . . . . 0.0 110.134 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -70.39 -41.63 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.876 -1.14 . . . . 0.0 109.768 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -40.02 84.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.264 -0.898 . . . . 0.0 110.468 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -64.54 -40.02 94.82 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.065 -1.022 . . . . 0.0 110.667 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.61 -37.11 80.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.777 -1.202 . . . . 0.0 110.151 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.62 -39.98 84.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.564 -1.335 . . . . 0.0 111.027 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.79 -40.03 79.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.833 -1.167 . . . . 0.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.54 -60.44 3.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.602 -1.312 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.35 -30.49 71.39 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.14 -51.19 40.8 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.285 -1.126 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.25 -40.2 71.15 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.436 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.54 -40.62 95.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 93.6 mt-10 -70.03 -37.85 75.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 110.47 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.6 t90 -62.74 -43.62 98.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.652 -1.28 . . . . 0.0 109.211 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.93 -40.05 91.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.256 -0.902 . . . . 0.0 110.176 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.26 -28.08 67.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.97 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.19 -35.75 12.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.182 -0.949 . . . . 0.0 111.174 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.37 -9.82 14.24 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 N--CA 1.505 2.32 0 O-C-N 120.243 -1.536 . . . . 0.0 109.457 -179.715 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.958 0.409 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.505 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 74.0 t60 -59.33 -49.61 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.953 -1.092 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 8' ' ' ARG . 30.1 mtt-85 -69.85 -32.1 70.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.02 -39.93 72.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.409 -0.807 . . . . 0.0 110.173 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.63 -42.69 91.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.349 -0.845 . . . . 0.0 110.201 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.5 m -82.61 15.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.96 -8.88 12.48 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.588 -0.695 . . . . 0.0 110.39 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.09 154.09 28.22 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 120.814 -1.179 . . . . 0.0 109.716 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.92 162.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.097 1.865 . . . . 0.0 112.121 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.539 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.1 ptp -94.67 -21.84 18.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -139.78 34.43 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.51 30.33 5.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -1.059 . . . . 0.0 109.967 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.68 148.24 67.96 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 120.965 -1.084 . . . . 0.0 108.717 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.28 155.25 66.56 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.489 2.126 . . . . 0.0 112.579 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.4 p -52.8 -43.23 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.632 -0.667 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.89 -2.97 2.93 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 p -82.11 -26.25 33.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.921 -1.341 . . . . 0.0 108.856 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.03 138.88 58.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.645 0.736 . . . . 0.0 109.236 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 136.6 57.31 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.784 0.802 . . . . 0.0 110.136 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.98 51.38 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.2 mm -99.02 119.98 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.127 -1.22 . . . . 0.0 108.393 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.69 176.26 37.88 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.676 -1.369 . . . . 0.0 109.676 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.49 -39.94 81.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.487 -1.008 . . . . 0.0 110.481 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.843 -1.161 . . . . 0.0 109.697 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.3 mt -65.54 -36.62 84.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.621 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -39.92 96.93 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -62.97 -39.88 96.01 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.318 -1.107 . . . . 0.0 110.587 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -66.99 -47.58 71.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.763 -1.21 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.41 -39.92 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.109 -0.994 . . . . 0.0 108.483 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.07 -40.71 90.47 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.501 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.68 -20.98 65.36 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 0.0 108.877 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 37' ' ' ARG . 55.4 mtt-85 -89.81 3.06 54.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.288 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.72 5.28 45.11 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.985 -1.072 . . . . 0.0 111.965 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.87 75.61 1.2 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.715 -1.462 . . . . 0.0 109.157 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -83.5 -10.57 58.25 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 45.6 mmtm -130.89 152.34 50.33 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.125 -0.985 . . . . 0.0 109.489 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.63 93.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 111.271 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 24.7 p90 -58.64 -19.92 43.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.679 -1.263 . . . . 0.0 111.269 -177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -79.86 -33.72 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.462 -1.399 . . . . 0.0 107.919 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.99 -37.36 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD22 ' CE ' ' A' ' 15' ' ' MET . 20.2 tp -59.99 -37.91 81.02 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.5 -42.32 95.86 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.43 -44.97 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -1.232 . . . . 0.0 108.885 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.03 -38.62 82.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.0 -21.16 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.504 -0.747 . . . . 0.0 111.362 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.67 14.97 13.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.883 -1.136 . . . . 0.0 111.058 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.3 mttm 49.82 39.43 18.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.654 -1.278 . . . . 0.0 110.201 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.95 19.58 8.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.23 -0.919 . . . . 0.0 109.712 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -70.19 106.85 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.423 -1.423 . . . . 0.0 108.884 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.95 -39.98 95.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.504 -0.747 . . . . 0.0 112.151 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.1 m-20 -68.06 -39.94 82.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.444 -1.41 . . . . 0.0 109.741 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.02 -39.63 75.7 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.178 -1.009 . . . . 0.0 108.806 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.29 -49.94 67.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.0 mtm180 -60.19 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.117 -0.989 . . . . 0.0 110.918 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -64.58 -35.15 80.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.5 -1.375 . . . . 0.0 108.923 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.01 -47.83 78.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.13 -0.981 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.44 -51.04 48.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.034 -1.041 . . . . 0.0 110.454 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -46.63 88.94 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.626 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.49 -29.06 66.63 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.451 -0.781 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.2 m -80.32 -32.4 37.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 111.239 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.63 -30.75 1.24 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.59 -1.319 . . . . 0.0 111.929 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.49 15.32 13.95 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.17 152.62 2.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.08 -1.247 . . . . 0.0 109.491 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -90.26 171.39 9.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.158 -0.964 . . . . 0.0 110.055 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -34.53 73.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.612 -0.68 . . . . 0.0 110.497 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.57 -40.92 73.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.874 -1.141 . . . . 0.0 109.908 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.39 -38.41 84.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.337 -0.852 . . . . 0.0 110.909 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.8 m -68.13 -37.71 81.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.18 -0.95 . . . . 0.0 110.282 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.99 -38.34 82.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.656 -1.277 . . . . 0.0 109.779 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.93 -39.34 79.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.656 -1.278 . . . . 0.0 111.085 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.553 -1.342 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.86 -59.78 4.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.548 -1.345 . . . . 0.0 110.253 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.75 -31.24 70.98 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.0 t -69.48 -48.76 59.69 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.221 -1.164 . . . . 0.0 110.092 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.0 -40.05 75.52 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.634 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -62.43 -40.11 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.289 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -69.94 -39.07 76.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.983 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -63.0 -46.24 88.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.357 -1.464 . . . . 0.0 109.293 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.5 m -60.98 -40.27 92.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 0.0 110.253 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.28 -27.29 65.7 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.058 -1.027 . . . . 0.0 109.138 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.9 -35.49 12.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.214 -0.929 . . . . 0.0 111.14 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 . . . . . 0 N--CA 1.506 2.342 0 O-C-N 121.23 -0.919 . . . . 0.0 113.038 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.012 0.434 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.509 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.9 t60 -59.35 -49.53 77.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 110.421 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' B' ' 8' ' ' ARG . 30.4 mtt-85 -69.95 -31.97 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.219 -0.926 . . . . 0.0 109.827 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.06 -39.94 71.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.378 -0.826 . . . . 0.0 110.158 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.75 -42.69 90.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 110.153 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.42 15.54 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.766 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.82 -8.76 12.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.561 -0.712 . . . . 0.0 110.325 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.17 154.03 28.01 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.88 -1.137 . . . . 0.0 109.744 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.93 162.32 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.119 1.879 . . . . 0.0 112.186 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.535 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.9 ptp -94.67 -21.82 18.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.152 -0.967 . . . . 0.0 110.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.7 -139.76 35.2 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.74 30.67 5.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.381 -1.07 . . . . 0.0 109.847 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.81 148.19 69.51 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 120.967 -1.083 . . . . 0.0 108.782 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.21 155.39 65.5 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.451 2.101 . . . . 0.0 112.634 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.4 p -52.93 -43.29 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.663 -0.648 . . . . 0.0 110.323 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.432 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.82 -3.0 2.89 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.7 p -81.93 -26.38 34.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.918 -1.342 . . . . 0.0 108.961 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.93 138.98 58.13 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.611 0.72 . . . . 0.0 109.213 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 136.67 57.34 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.724 0.773 . . . . 0.0 110.107 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.55 -19.85 51.96 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.23 119.98 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.048 -1.266 . . . . 0.0 108.376 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.63 176.31 38.03 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.37 -40.02 81.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.438 -1.037 . . . . 0.0 110.601 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.81 -44.35 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.948 -1.095 . . . . 0.0 109.752 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.5 -36.64 84.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 109.623 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.0 96.93 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.89 -39.98 96.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.202 -1.175 . . . . 0.0 110.54 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.03 -47.54 71.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.652 -1.28 . . . . 0.0 109.745 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -40.02 89.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.117 -0.99 . . . . 0.0 108.415 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.04 -40.63 90.07 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.538 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 108.818 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 37' ' ' ARG . 55.4 mtt-85 -89.8 2.8 54.48 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.766 . . . . 0.0 110.18 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 5.15 44.54 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.071 -1.018 . . . . 0.0 111.989 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.68 75.46 1.21 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.777 -1.425 . . . . 0.0 109.255 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 36.2 p-10 -83.41 -10.91 58.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.349 -0.844 . . . . 0.0 110.799 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 45.7 mmtm -130.61 152.45 49.97 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.66 93.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 111.271 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 23.8 p90 -58.64 -19.81 42.24 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.632 -1.293 . . . . 0.0 111.288 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 t -79.83 -33.75 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.395 -1.441 . . . . 0.0 107.997 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -75.99 -37.24 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE ' ' B' ' 15' ' ' MET . 19.9 tp -60.06 -37.83 81.03 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.19 95.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.71 -44.81 96.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.025 -1.279 . . . . 0.0 108.871 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.08 -38.34 82.25 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.17 -21.22 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.456 -0.777 . . . . 0.0 111.302 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -91.64 14.84 13.97 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.785 -1.197 . . . . 0.0 110.989 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 49.9 39.38 18.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.619 -1.3 . . . . 0.0 110.313 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.84 19.9 8.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 109.819 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -70.41 106.52 3.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.626 -1.296 . . . . 0.0 108.91 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.65 -40.01 95.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.1 m-20 -68.17 -39.96 82.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.585 -1.322 . . . . 0.0 109.724 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.97 -39.7 75.81 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.777 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.14 -49.92 68.0 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.766 . . . . 0.0 109.721 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.0 mtm180 -60.45 -47.83 84.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.184 -0.948 . . . . 0.0 110.99 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -64.79 -35.13 80.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.537 -1.352 . . . . 0.0 108.836 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.8 t90 -63.92 -47.96 78.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.38 -50.96 49.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.035 -1.041 . . . . 0.0 110.47 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.09 -46.69 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.331 -0.855 . . . . 0.0 109.661 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 -29.08 66.65 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.535 -0.728 . . . . 0.0 109.667 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 40.0 m -80.31 -32.28 38.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.85 . . . . 0.0 111.287 -178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.8 -30.61 1.23 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.57 -1.332 . . . . 0.0 111.926 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.42 15.13 14.41 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.08 152.51 2.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.181 -1.187 . . . . 0.0 109.587 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.14 171.45 9.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.133 -0.979 . . . . 0.0 110.169 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.75 73.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.536 -0.727 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.36 -40.77 73.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.832 -1.167 . . . . 0.0 110.023 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.47 -38.74 84.89 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.858 . . . . 0.0 110.748 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -67.85 -37.93 82.48 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 110.318 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.93 -38.42 82.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.69 -1.256 . . . . 0.0 109.737 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -68.75 -39.27 80.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.526 -1.359 . . . . 0.0 111.189 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.25 -40.07 78.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.54 -1.35 . . . . 0.0 110.657 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.69 -59.95 4.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.523 -1.361 . . . . 0.0 110.303 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.6 -31.31 70.6 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.44 -48.85 59.64 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.228 -1.16 . . . . 0.0 110.031 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.675 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.987 -1.07 . . . . 0.0 110.247 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -38.93 76.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 0.0 110.958 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -63.06 -46.3 88.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.464 -1.397 . . . . 0.0 109.266 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.12 -40.11 92.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.34 -27.36 65.86 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.77 -35.62 12.68 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.379 -0.826 . . . . 0.0 111.143 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.3 m-85 -111.64 -6.92 14.31 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.224 -0.923 . . . . 0.0 113.175 -176.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.255 -1.528 . . . . 0.0 109.435 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.15 0.5 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.12 -50.0 75.73 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.068 -1.02 . . . . 0.0 110.349 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.02 -33.25 71.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.043 -1.036 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.6 -36.75 68.18 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.08 -41.47 86.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.193 -0.942 . . . . 0.0 110.136 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.62 17.06 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.19 -0.944 . . . . 0.0 109.91 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -6.07 10.02 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.556 -0.715 . . . . 0.0 110.226 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -152.69 151.27 26.45 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 120.89 -1.131 . . . . 0.0 109.638 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -43.3 159.03 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.905 1.737 . . . . 0.0 111.887 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.649 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -93.67 -27.1 16.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.059 -1.025 . . . . 0.0 109.401 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.93 -136.03 45.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.19 30.04 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.492 -1.005 . . . . 0.0 110.624 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.05 148.47 77.54 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 154.42 73.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.206 1.938 . . . . 0.0 112.67 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 21' ' ' GLY . 12.0 p -53.34 -45.8 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.716 -0.615 . . . . 0.0 110.797 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.584 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.96 -3.18 1.55 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.7 t -81.91 -21.12 37.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.947 -1.325 . . . . 0.0 108.803 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.29 139.98 58.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.473 -0.767 . . . . 0.0 109.247 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 134.82 56.03 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.355 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.96 -20.01 50.83 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.34 117.94 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.028 -1.278 . . . . 0.0 108.238 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.16 175.53 36.48 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 120.638 -1.289 . . . . 0.0 110.138 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.04 -40.07 79.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.534 -0.98 . . . . 0.0 110.704 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.44 -43.52 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.814 -1.178 . . . . 0.0 109.598 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.19 -35.81 81.42 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 109.596 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.94 96.26 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.54 -38.82 90.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.257 -1.143 . . . . 0.0 110.777 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.16 -48.04 69.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.737 -1.227 . . . . 0.0 109.791 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -38.37 85.47 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -41.74 92.62 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.614 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -67.61 -18.97 65.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 0.0 108.772 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.04 57.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.646 -0.659 . . . . 0.0 110.112 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.97 4.09 45.16 Favored Glycine 0 N--CA 1.505 3.275 0 O-C-N 121.034 -1.041 . . . . 0.0 111.973 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -104.01 75.48 1.28 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.885 -1.362 . . . . 0.0 108.925 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -82.64 -11.51 58.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -130.15 151.88 50.19 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.048 -1.032 . . . . 0.0 109.657 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.0 95.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.733 -0.604 . . . . 0.0 111.353 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -59.45 -19.25 46.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.151 . . . . 0.0 111.122 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.36 -33.51 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.491 -1.38 . . . . 0.0 107.671 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.49 -37.35 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD22 ' CE ' ' A' ' 15' ' ' MET . 22.6 tp -60.02 -38.49 82.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.33 -40.13 95.6 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.07 -42.96 95.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -1.206 . . . . 0.0 108.395 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.97 -39.19 79.6 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.13 -27.93 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.391 -0.818 . . . . 0.0 110.355 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.47 12.91 11.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.154 -0.966 . . . . 0.0 110.348 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.3 39.68 9.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.771 -1.205 . . . . 0.0 109.756 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.03 20.96 10.09 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.798 -0.563 . . . . 0.0 110.69 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.75 108.48 4.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.601 -1.312 . . . . 0.0 108.995 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.65 -40.09 95.99 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.26 -39.2 78.56 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.599 -1.313 . . . . 0.0 110.939 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.48 -37.57 77.33 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.059 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.48 -46.01 88.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 0.0 109.562 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.94 -48.81 80.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 111.105 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.33 -39.96 96.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.687 -1.258 . . . . 0.0 108.847 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.06 -48.24 77.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.161 -0.962 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.48 -44.51 82.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.057 -1.027 . . . . 0.0 110.266 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.03 -48.93 79.68 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -69.49 -28.86 66.42 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -76.91 -38.6 53.17 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.007 -1.058 . . . . 0.0 111.493 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.8 p -130.27 -29.65 2.01 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.506 -1.371 . . . . 0.0 112.35 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.83 14.11 27.85 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.551 -1.819 . . . . 0.0 108.551 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.5 1.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.24 -1.153 . . . . 0.0 109.243 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 9.6 t-20 -87.95 168.94 12.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.028 -1.045 . . . . 0.0 110.519 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.623 ' H ' ' ND2' ' A' ' 70' ' ' ASN . . . -61.24 -33.58 73.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.708 -0.62 . . . . 0.0 110.491 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -71.31 -41.28 70.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.018 -1.051 . . . . 0.0 109.808 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.49 -35.15 79.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.405 -0.809 . . . . 0.0 110.253 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -68.4 -38.57 81.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.414 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -60.35 -37.73 81.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.847 -1.158 . . . . 0.0 109.615 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.41 -38.72 81.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.685 -1.259 . . . . 0.0 110.786 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.23 -40.0 89.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.796 -1.19 . . . . 0.0 110.156 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.39 -58.9 6.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.716 -1.24 . . . . 0.0 109.847 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.32 85.0 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.81 -50.78 54.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.83 -1.394 . . . . 0.0 109.908 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.95 -39.81 75.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.357 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.95 -40.03 96.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.109 -0.994 . . . . 0.0 110.766 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.25 -39.39 78.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.92 -1.112 . . . . 0.0 110.584 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.0 t90 -60.35 -44.26 95.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.702 -1.249 . . . . 0.0 108.699 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 m -60.04 -40.5 89.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.364 -0.835 . . . . 0.0 109.775 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.27 -31.86 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -0.881 . . . . 0.0 110.052 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.82 -36.36 18.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.129 -0.982 . . . . 0.0 110.363 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.1 m-85 . . . . . 0 N--CA 1.496 1.854 0 O-C-N 121.468 -0.77 . . . . 0.0 110.37 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.092 0.472 . . . . 0.0 109.773 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -59.16 -50.04 75.58 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.11 -0.993 . . . . 0.0 110.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.04 -33.17 71.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 110.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.59 -36.92 68.25 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -66.97 -41.46 86.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -0.916 . . . . 0.0 110.136 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.69 17.2 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 -6.13 9.98 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.495 -0.753 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -152.68 151.29 26.5 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 120.864 -1.147 . . . . 0.0 109.647 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -43.27 158.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.846 1.697 . . . . 0.0 111.878 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.645 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.2 ptp -93.46 -27.01 16.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.043 -1.036 . . . . 0.0 109.475 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.69 -136.08 45.01 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.12 30.04 6.55 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.481 -1.011 . . . . 0.0 110.623 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.0 148.5 77.1 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.862 -1.149 . . . . 0.0 108.06 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.15 154.44 73.46 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.244 1.963 . . . . 0.0 112.682 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 21' ' ' GLY . 12.0 p -53.24 -45.79 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.75 -0.594 . . . . 0.0 110.773 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -59.01 -3.09 1.52 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.418 ' H ' ' C ' ' B' ' 20' ' ' VAL . 23.7 t -82.03 -21.14 37.12 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.889 -1.359 . . . . 0.0 108.818 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.36 140.02 58.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.416 -0.802 . . . . 0.0 109.199 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.73 134.7 55.81 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.41 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.97 50.94 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 109.989 -1.245 . . . . 0.0 109.989 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.36 117.83 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.045 -1.268 . . . . 0.0 108.334 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 175.58 36.41 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 120.714 -1.241 . . . . 0.0 110.194 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -58.1 -39.95 79.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.495 -1.003 . . . . 0.0 110.677 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.62 -43.47 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.24 -35.76 81.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.632 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.97 96.24 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.51 -38.97 91.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.185 -1.185 . . . . 0.0 110.773 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.08 -47.91 69.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.712 -1.242 . . . . 0.0 109.759 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.9 mt -60.99 -38.47 86.11 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -41.6 92.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.621 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.69 -18.97 65.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 108.794 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.01 57.29 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.096 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.25 45.34 Favored Glycine 0 N--CA 1.505 3.249 0 O-C-N 121.032 -1.043 . . . . 0.0 111.927 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -104.21 75.59 1.27 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.934 -1.333 . . . . 0.0 108.96 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -82.75 -11.4 58.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.305 -0.872 . . . . 0.0 110.661 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -130.22 152.02 50.1 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.95 95.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.704 -0.622 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -59.47 -19.35 47.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.792 -1.193 . . . . 0.0 111.118 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -79.18 -33.51 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.507 -1.371 . . . . 0.0 107.744 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.8 t -77.51 -37.43 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.645 HD22 ' CE ' ' B' ' 15' ' ' MET . 22.3 tp -60.03 -38.59 83.18 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.17 -40.17 95.4 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.02 -42.99 95.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -1.187 . . . . 0.0 108.426 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.91 -39.26 79.76 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.11 -27.78 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.321 -0.862 . . . . 0.0 110.388 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.59 12.99 11.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.092 -1.005 . . . . 0.0 110.324 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.13 39.71 8.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.765 -1.209 . . . . 0.0 109.802 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 59.97 20.91 9.96 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.799 -0.563 . . . . 0.0 110.663 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.57 108.42 4.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.501 -1.374 . . . . 0.0 108.999 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.73 -39.97 95.61 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.3 -39.15 78.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.575 -1.328 . . . . 0.0 110.957 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.53 -37.63 77.2 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.063 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.4 -45.97 88.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.02 -48.98 79.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 111.121 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.792 -1.193 . . . . 0.0 108.882 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.14 -48.18 77.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 111.349 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.42 -44.62 82.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.264 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.07 -48.8 80.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.139 -0.976 . . . . 0.0 109.721 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -69.35 -29.42 67.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 64.3 m -76.44 -38.72 55.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 111.551 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.1 p -130.23 -29.65 2.02 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.505 -1.372 . . . . 0.0 112.293 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.84 14.17 27.69 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.96 155.48 1.2 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -1.167 . . . . 0.0 109.22 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . 0.63 ' ND2' ' H ' ' B' ' 71' ' ' ALA . 9.5 t-20 -87.73 169.08 12.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.993 -1.067 . . . . 0.0 110.539 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.63 ' H ' ' ND2' ' B' ' 70' ' ' ASN . . . -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.752 -0.593 . . . . 0.0 110.574 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.39 -41.27 69.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.845 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.38 -35.18 79.69 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.362 -0.836 . . . . 0.0 110.342 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -68.42 -38.61 81.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 110.369 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -60.35 -37.64 81.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.829 -1.17 . . . . 0.0 109.612 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.51 -38.63 81.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.565 -1.334 . . . . 0.0 110.828 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -66.25 -39.99 89.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.862 -1.149 . . . . 0.0 110.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -58.39 -58.81 6.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.655 -1.278 . . . . 0.0 109.907 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -33.3 84.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.89 -50.69 54.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.348 . . . . 0.0 109.909 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.05 -39.72 75.52 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.378 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -63.15 -39.99 96.25 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 110.72 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.15 -39.35 78.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.989 -1.069 . . . . 0.0 110.603 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.1 t90 -60.47 -44.12 96.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.58 -1.325 . . . . 0.0 108.673 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 m -60.02 -40.63 89.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.3 -31.71 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -0.842 . . . . 0.0 110.102 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -36.69 18.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.127 -0.983 . . . . 0.0 110.371 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -107.12 -87.82 0.47 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 110.358 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.086 -1.009 . . . . 0.0 109.102 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.048 0.452 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' A' ' 11' ' ' VAL . 71.6 t60 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.22 -0.925 . . . . 0.0 110.869 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.66 -32.72 71.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.59 -39.83 73.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.364 -0.835 . . . . 0.0 111.067 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.0 -40.69 75.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.934 -1.104 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.3 m -83.62 11.72 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.056 -1.027 . . . . 0.0 110.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.27 -5.17 10.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.321 -0.862 . . . . 0.0 110.512 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.72 151.62 23.93 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 120.983 -1.073 . . . . 0.0 109.307 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -42.51 159.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 121.915 1.743 . . . . 0.0 111.824 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.8 ptp -92.67 -22.0 19.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.95 -138.05 39.21 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -106.86 31.37 5.36 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.575 -0.956 . . . . 0.0 110.201 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.0 148.66 76.72 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.036 -1.04 . . . . 0.0 108.936 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.39 77.36 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.324 2.016 . . . . 0.0 112.442 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.0 p -52.7 -39.36 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 110.645 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.09 -3.21 5.99 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 m -81.76 -24.47 36.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.804 -1.409 . . . . 0.0 109.253 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.03 139.97 58.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.271 -0.893 . . . . 0.0 109.733 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 137.44 58.05 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.643 0.735 . . . . 0.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -21.01 47.75 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.44 120.13 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.1 -1.235 . . . . 0.0 108.603 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -91.51 176.13 39.67 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.58 -39.94 85.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.545 -0.974 . . . . 0.0 110.459 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.67 -44.65 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.873 -1.142 . . . . 0.0 109.425 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 27' ' ' GLY . 68.8 mt -67.13 -36.77 82.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -36.98 91.97 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 36' ' ' GLU . 62.7 tttm -64.01 -40.01 95.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.558 -0.966 . . . . 0.0 110.146 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.01 -48.32 71.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.899 -1.126 . . . . 0.0 109.966 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.05 -38.5 86.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.015 . . . . 0.0 108.714 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.93 -40.05 87.6 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.625 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 98.9 mt-10 -68.8 -19.12 64.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 108.857 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.49 0.6 56.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.606 -0.684 . . . . 0.0 110.363 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.95 3.96 42.11 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 121.059 -1.026 . . . . 0.0 111.891 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.45 76.47 1.31 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.893 -1.357 . . . . 0.0 109.035 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 37.7 p-10 -80.99 -10.09 59.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.861 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.98 158.79 43.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.897 -1.127 . . . . 0.0 110.719 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.58 92.24 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -59.93 -19.74 53.57 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.43 -1.419 . . . . 0.0 111.195 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.08 -34.83 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.51 -1.369 . . . . 0.0 107.541 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.86 -36.43 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.1 tp -60.09 -38.23 82.32 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.33 -41.93 95.32 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.05 -41.69 92.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.007 -1.29 . . . . 0.0 108.943 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.46 -40.19 90.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 108.883 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.21 -38.59 82.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.21 -29.94 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.28 12.36 8.28 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.051 -1.031 . . . . 0.0 110.266 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 48.22 38.46 10.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.8 -1.188 . . . . 0.0 110.039 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 59.98 20.06 9.13 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.52 -0.738 . . . . 0.0 110.78 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -68.85 106.95 2.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.407 -1.433 . . . . 0.0 108.66 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.86 -40.02 94.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.875 . . . . 0.0 112.122 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -67.8 -39.95 83.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.84 -1.162 . . . . 0.0 109.944 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.04 -37.83 75.68 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.283 -0.967 . . . . 0.0 109.142 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.83 -41.71 91.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.819 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.456 HH22 ' CG ' ' A' ' 75' ' ' ARG . 50.6 mtt-85 -59.88 -49.79 76.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.927 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.0 -38.69 91.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.74 -1.225 . . . . 0.0 109.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.5 t90 -62.56 -47.78 82.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.835 . . . . 0.0 110.646 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.01 -48.6 62.61 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.162 -0.961 . . . . 0.0 110.4 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.17 -48.02 83.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.06 -1.025 . . . . 0.0 109.524 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 31.6 t0 -67.6 -32.18 72.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.5 m -79.07 -34.95 43.21 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.355 -0.841 . . . . 0.0 111.242 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.4 p -133.05 -39.74 0.94 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.528 -1.357 . . . . 0.0 112.182 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.493 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 113.54 16.79 7.93 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.2 152.18 3.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.993 -1.298 . . . . 0.0 109.782 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.0 172.49 8.41 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.165 -0.96 . . . . 0.0 109.822 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.18 71.59 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.349 -0.844 . . . . 0.0 110.988 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -70.2 -40.07 74.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.71 -1.243 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -66.26 -39.72 89.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 110.352 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 m -63.78 -39.95 95.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.365 -0.835 . . . . 0.0 110.603 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' CG ' HH22 ' A' ' 60' ' ' ARG . 95.6 mtt180 -61.19 -38.57 87.0 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.673 -1.267 . . . . 0.0 109.279 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.96 -39.9 75.74 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.849 -1.157 . . . . 0.0 110.501 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.74 -39.98 80.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.917 -1.114 . . . . 0.0 109.356 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -59.87 4.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.976 -1.077 . . . . 0.0 110.052 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.86 -32.96 83.77 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -67.29 -49.98 62.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.949 -1.324 . . . . 0.0 109.38 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.56 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -63.76 -40.01 95.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.044 -1.035 . . . . 0.0 110.374 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -69.79 -38.57 76.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 110.099 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.1 t90 -61.62 -44.57 96.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.732 -1.23 . . . . 0.0 108.728 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.2 -39.95 88.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 0.0 109.169 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.53 -31.71 69.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.396 -0.815 . . . . 0.0 110.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.25 18.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 110.695 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 98.4 m-85 . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.209 -0.932 . . . . 0.0 110.298 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.425 ' O ' HG22 ' B' ' 11' ' ' VAL . 71.9 t60 -59.91 -49.98 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.122 -0.986 . . . . 0.0 110.802 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.72 -32.73 71.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.942 -1.099 . . . . 0.0 109.522 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.64 -39.91 73.38 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.472 -0.768 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -69.92 -40.78 75.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.824 -1.173 . . . . 0.0 110.816 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 7' ' ' HIS . 17.1 m -83.69 12.03 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.063 -1.023 . . . . 0.0 110.808 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.55 -5.23 10.28 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.336 -0.853 . . . . 0.0 110.411 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.71 151.41 23.48 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 120.937 -1.102 . . . . 0.0 109.352 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -42.33 159.97 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.834 1.689 . . . . 0.0 111.829 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.651 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -92.74 -21.62 19.84 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.202 -0.936 . . . . 0.0 109.951 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.4 -138.07 37.12 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -106.74 31.53 5.21 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.584 -0.951 . . . . 0.0 110.194 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.04 148.69 76.93 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.918 -1.114 . . . . 0.0 108.994 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.35 77.6 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.401 2.067 . . . . 0.0 112.422 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.8 p -52.76 -39.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.749 -0.594 . . . . 0.0 110.679 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.404 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.25 -2.97 5.94 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -82.08 -24.42 35.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.82 -1.4 . . . . 0.0 109.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.01 139.85 58.81 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.951 0.882 . . . . 0.0 109.743 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 137.41 58.07 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.663 0.744 . . . . 0.0 110.518 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.18 -20.97 47.92 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.37 120.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.034 -1.274 . . . . 0.0 108.519 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.408 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.89 175.99 38.94 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -59.5 -39.99 85.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.987 . . . . 0.0 110.401 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -44.79 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.408 HD12 ' H ' ' B' ' 27' ' ' GLY . 70.1 mt -67.03 -36.85 83.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.07 92.02 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' B' ' 36' ' ' GLU . 62.7 tttm -64.04 -40.01 95.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.962 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.89 -48.34 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.903 -1.123 . . . . 0.0 109.93 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.92 -38.47 85.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.039 -1.038 . . . . 0.0 108.729 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.05 -40.2 88.6 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 98.8 mt-10 -68.49 -19.26 64.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.221 -0.924 . . . . 0.0 108.896 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -89.6 1.17 56.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.381 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.55 3.87 43.43 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.998 -1.064 . . . . 0.0 111.895 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.77 76.76 1.29 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.978 -1.307 . . . . 0.0 109.068 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -81.29 -10.1 59.64 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.808 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.92 158.93 43.32 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.908 -1.12 . . . . 0.0 110.62 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.3 -19.95 57.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.423 -1.423 . . . . 0.0 111.099 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -77.98 -34.67 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.542 -1.349 . . . . 0.0 107.565 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.93 -36.4 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.7 tp -60.07 -38.21 82.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.38 -42.01 95.45 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.02 -41.68 92.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.941 -1.329 . . . . 0.0 108.848 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -60.37 -40.16 89.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.423 -0.798 . . . . 0.0 108.87 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.31 -38.9 82.07 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.0 -29.66 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.381 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.63 12.72 8.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.046 -1.034 . . . . 0.0 110.245 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 69.0 mttm 47.94 38.35 9.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.691 -1.256 . . . . 0.0 110.206 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 60.01 19.95 9.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.556 -0.715 . . . . 0.0 110.755 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.67 106.92 2.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.402 -1.436 . . . . 0.0 108.615 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -40.13 94.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.946 . . . . 0.0 112.12 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.57 -40.02 84.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.879 -1.138 . . . . 0.0 110.041 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.158 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.76 -41.71 91.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.513 -0.742 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.452 HH22 ' CG ' ' B' ' 75' ' ' ARG . 49.5 mtt-85 -59.99 -49.95 75.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.276 -0.89 . . . . 0.0 110.931 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.82 -38.36 90.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.891 -1.131 . . . . 0.0 109.164 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.98 -47.56 82.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.366 -0.834 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.94 -48.73 62.52 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.07 -48.12 83.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.043 -1.036 . . . . 0.0 109.511 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 36.5 t0 -67.47 -31.93 72.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.606 -0.684 . . . . 0.0 109.38 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.7 m -79.34 -34.77 41.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.825 . . . . 0.0 111.3 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.4 p -133.14 -39.87 0.93 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.57 -1.331 . . . . 0.0 112.083 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 113.45 17.08 7.79 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.28 152.18 3.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.993 -1.298 . . . . 0.0 109.775 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.88 172.77 8.24 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.105 -0.997 . . . . 0.0 109.735 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.2 71.71 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.4 -0.812 . . . . 0.0 110.998 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -70.35 -40.08 74.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.776 -1.202 . . . . 0.0 109.856 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.19 -39.73 89.91 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.426 -0.796 . . . . 0.0 110.325 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . 0.403 ' HB2' HH12 ' B' ' 60' ' ' ARG . 56.7 m -63.76 -40.02 95.69 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.189 -0.944 . . . . 0.0 110.579 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.452 ' CG ' HH22 ' B' ' 60' ' ' ARG . 95.8 mtt180 -61.36 -38.31 86.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.61 -1.307 . . . . 0.0 109.227 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.948 -1.095 . . . . 0.0 110.626 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -68.69 -40.12 80.19 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.88 -1.137 . . . . 0.0 109.406 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.1 -59.68 5.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.065 . . . . 0.0 110.03 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.83 83.62 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.54 -49.87 61.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.906 -1.349 . . . . 0.0 109.35 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -39.95 75.23 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.45 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.66 -40.05 95.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.105 -0.997 . . . . 0.0 110.482 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.85 -38.52 76.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.083 -1.011 . . . . 0.0 110.117 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -61.67 -44.71 96.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.621 -1.3 . . . . 0.0 108.655 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.08 -39.97 87.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.47 -31.47 69.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.496 -0.752 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -36.29 18.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.994 -1.066 . . . . 0.0 110.601 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.4 m-85 -105.55 -85.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.269 -0.895 . . . . 0.0 110.14 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.836 -1.165 . . . . 0.0 108.981 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 72.3 t60 -59.87 -50.23 74.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.061 -1.024 . . . . 0.0 110.596 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 99.2 mtt180 -70.23 -33.61 71.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.974 -1.079 . . . . 0.0 109.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.79 -39.97 72.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.345 -0.847 . . . . 0.0 110.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.94 -44.48 80.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.434 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 7' ' ' HIS . 14.0 m -84.95 13.71 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 110.367 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -110.73 -10.3 14.47 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.281 -0.887 . . . . 0.0 110.529 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -153.95 152.12 26.14 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 120.969 -1.082 . . . . 0.0 109.215 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -40.48 160.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.091 1.86 . . . . 0.0 112.039 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.589 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -88.69 -20.82 24.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.038 -1.039 . . . . 0.0 109.648 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.15 -140.01 13.13 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.52 29.89 6.16 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.438 -1.036 . . . . 0.0 110.435 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.69 149.84 77.82 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.944 -1.098 . . . . 0.0 108.686 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.66 156.96 61.12 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.555 2.17 . . . . 0.0 112.909 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.58 -40.79 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.618 -0.676 . . . . 0.0 110.607 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.85 -2.3 2.48 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -81.16 -21.66 39.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.857 -1.378 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.27 139.96 58.66 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.336 -0.852 . . . . 0.0 109.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 136.35 56.69 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.536 0.684 . . . . 0.0 109.837 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.29 -19.97 51.82 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -98.52 116.87 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -1.146 . . . . 0.0 108.174 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.01 177.08 38.08 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -58.03 -39.93 79.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.419 -1.048 . . . . 0.0 110.321 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -43.82 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.022 . . . . 0.0 109.419 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 73' ' ' GLN . 89.8 mt -67.64 -39.54 84.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -0.879 . . . . 0.0 109.659 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.06 -36.94 90.75 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.44 -39.74 92.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -1.056 . . . . 0.0 110.685 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.27 -47.01 71.94 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.741 -1.225 . . . . 0.0 110.142 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 mt -60.02 -39.72 86.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.9 -1.125 . . . . 0.0 108.292 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.15 -40.62 90.49 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.948 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.31 -19.6 64.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.065 -1.022 . . . . 0.0 108.767 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 37' ' ' ARG . 1.3 mmt-85 -89.95 1.26 56.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.513 -0.742 . . . . 0.0 110.684 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.98 40.54 Favored Glycine 0 N--CA 1.505 3.24 0 O-C-N 120.969 -1.082 . . . . 0.0 111.836 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -103.77 73.57 1.18 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.889 -1.359 . . . . 0.0 108.618 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.63 -12.5 57.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.665 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.17 151.16 51.0 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 109.697 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.02 94.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -59.98 -19.6 53.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.501 -1.374 . . . . 0.0 110.959 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.08 -32.18 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.636 -1.29 . . . . 0.0 107.638 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.25 -39.48 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.0 tp -59.94 -38.74 83.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.25 -43.61 74.95 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.08 -42.95 95.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.263 . . . . 0.0 109.529 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.63 -37.95 83.2 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.804 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.32 -26.78 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.097 -1.002 . . . . 0.0 110.932 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.69 12.44 10.7 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.98 -1.075 . . . . 0.0 111.232 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 47.95 38.77 9.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.643 -1.286 . . . . 0.0 110.01 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 60.09 20.16 9.39 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.566 -0.709 . . . . 0.0 110.553 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -67.4 106.72 2.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.58 -1.325 . . . . 0.0 108.288 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.3 -40.84 96.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.323 -0.86 . . . . 0.0 112.745 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.28 -39.12 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.434 -1.416 . . . . 0.0 109.528 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.88 -39.81 76.08 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.66 -48.78 73.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 109.773 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -59.98 -47.42 85.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.379 -0.826 . . . . 0.0 110.415 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.09 -37.5 87.69 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.18 -0.95 . . . . 0.0 109.44 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -63.72 -47.51 80.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.242 -0.911 . . . . 0.0 111.45 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.01 -46.74 67.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 0.0 110.704 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.38 -47.83 84.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.028 -1.045 . . . . 0.0 110.338 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.03 -26.54 64.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.734 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -80.48 -33.47 36.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.189 -0.944 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.6 p -132.3 -26.94 1.83 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.624 -1.298 . . . . 0.0 111.938 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.33 13.77 27.71 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.83 153.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.084 -1.245 . . . . 0.0 109.061 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.07 171.73 9.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 109.83 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.97 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.581 -0.699 . . . . 0.0 110.694 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -71.69 -40.1 69.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.857 -1.152 . . . . 0.0 109.736 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' A' ' 30' ' ' LEU . 96.8 mt-30 -65.45 -39.64 92.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.476 -0.765 . . . . 0.0 109.749 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 m -63.36 -39.98 96.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.499 -0.75 . . . . 0.0 110.576 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.22 -38.43 83.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.765 -1.209 . . . . 0.0 110.167 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.94 -39.79 83.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.59 -1.319 . . . . 0.0 110.808 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.3 -40.11 81.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.73 -1.231 . . . . 0.0 110.253 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.32 -60.33 4.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.628 -1.295 . . . . 0.0 110.459 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.65 -32.17 77.65 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.0 -1.294 . . . . 0.0 110.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.034 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -62.11 -40.04 94.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -0.888 . . . . 0.0 110.569 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.1 mt-10 -70.01 -38.33 75.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 111.218 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.1 t90 -61.47 -45.05 95.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.446 -1.409 . . . . 0.0 109.161 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.45 -40.11 93.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.0 110.225 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.61 -29.59 66.58 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.63 12.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.203 -0.936 . . . . 0.0 111.499 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 83.3 m-85 . . . . . 0 N--CA 1.506 2.356 0 O-C-N 121.157 -0.964 . . . . 0.0 113.366 -176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.074 0.464 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' B' ' 11' ' ' VAL . 72.2 t60 -60.02 -50.23 74.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 110.62 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 99.2 mtt180 -70.04 -33.51 72.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.91 -39.98 72.42 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.372 -0.83 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.99 -44.42 80.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.102 -0.999 . . . . 0.0 110.468 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 7' ' ' HIS . 14.2 m -85.14 14.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.976 -1.078 . . . . 0.0 110.301 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -110.95 -10.51 14.39 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.381 -0.824 . . . . 0.0 110.515 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -153.85 152.1 26.24 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.936 -1.102 . . . . 0.0 109.111 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.44 160.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.024 1.816 . . . . 0.0 112.101 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.557 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -88.83 -20.8 24.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.068 -1.02 . . . . 0.0 109.637 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.04 -140.0 12.54 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.47 30.07 5.99 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.463 -1.022 . . . . 0.0 110.454 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.85 149.8 79.22 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.869 -1.145 . . . . 0.0 108.664 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.67 156.86 61.71 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.503 2.135 . . . . 0.0 112.984 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -55.31 -40.99 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.638 -0.664 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -2.26 2.41 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 72.9 m -81.28 -21.42 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.807 -1.408 . . . . 0.0 108.96 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.56 139.85 58.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.274 -0.891 . . . . 0.0 109.744 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 136.29 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.649 0.738 . . . . 0.0 109.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.5 -20.01 51.39 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.4 117.13 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.195 -1.179 . . . . 0.0 108.187 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 177.2 38.08 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -58.09 -40.03 80.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -1.012 . . . . 0.0 110.265 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.25 -43.89 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.494 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.44 HD11 ' NE2' ' B' ' 73' ' ' GLN . 90.9 mt -67.62 -39.59 84.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.19 -36.91 90.78 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.34 -39.98 93.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -1.041 . . . . 0.0 110.649 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.91 -47.15 72.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.862 -1.149 . . . . 0.0 110.193 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.01 -39.76 86.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.953 -1.092 . . . . 0.0 108.298 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.06 -19.56 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.3 mmt-85 -90.03 1.38 56.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.452 -0.78 . . . . 0.0 110.593 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.29 5.06 40.62 Favored Glycine 0 N--CA 1.505 3.266 0 O-C-N 121.039 -1.038 . . . . 0.0 111.797 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.87 73.57 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.792 -1.416 . . . . 0.0 108.549 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.76 -12.68 57.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.788 . . . . 0.0 110.651 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.06 151.3 50.76 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.153 -0.967 . . . . 0.0 109.613 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.06 94.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.615 -0.678 . . . . 0.0 111.606 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -59.99 -19.66 53.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.583 -1.323 . . . . 0.0 110.949 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.89 -32.35 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.09 -39.56 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.557 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.3 tp -59.98 -38.63 83.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.35 -43.65 76.03 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.1 -42.84 95.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.075 -1.25 . . . . 0.0 109.491 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.0 -39.93 87.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.15 -0.969 . . . . 0.0 108.827 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.86 -37.82 82.31 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.5 t -67.34 -26.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.217 -0.927 . . . . 0.0 110.956 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.0 12.59 10.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.973 -1.079 . . . . 0.0 111.109 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 47.81 38.83 9.43 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.614 -1.304 . . . . 0.0 110.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 59.93 20.01 9.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.676 -0.64 . . . . 0.0 110.64 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -66.96 107.02 2.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.634 -1.291 . . . . 0.0 108.235 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.82 -40.73 95.68 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.31 -0.869 . . . . 0.0 112.699 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.18 -39.21 82.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.435 -1.415 . . . . 0.0 109.578 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.59 -48.85 73.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.086 -1.009 . . . . 0.0 109.729 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -59.99 -47.53 85.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 110.423 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.87 -47.42 80.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.409 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.6 tp -69.13 -46.56 67.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.015 -1.053 . . . . 0.0 110.72 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.46 -47.96 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.004 -1.06 . . . . 0.0 110.265 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.88 -26.8 64.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -80.37 -33.33 37.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 111.263 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -132.24 -27.4 1.8 Allowed 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.549 -1.344 . . . . 0.0 111.878 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.67 13.85 26.83 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.76 1.68 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.105 -1.233 . . . . 0.0 109.019 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.05 171.76 9.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.996 -1.065 . . . . 0.0 109.87 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.89 74.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.569 -0.707 . . . . 0.0 110.704 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.69 -40.14 69.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.916 -1.115 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' B' ' 30' ' ' LEU . 96.9 mt-30 -65.46 -39.72 92.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.451 -0.78 . . . . 0.0 109.795 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.4 m -63.17 -39.99 96.25 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.611 -0.68 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.46 -38.25 83.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 110.228 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -67.98 -39.76 83.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.485 -1.385 . . . . 0.0 110.87 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -40.04 81.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.775 -1.203 . . . . 0.0 110.209 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.35 -60.34 4.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.66 -1.275 . . . . 0.0 110.477 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.68 -32.03 77.31 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -70.47 -47.61 59.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.069 -1.253 . . . . 0.0 110.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.111 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -62.22 -40.1 95.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.401 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 94.9 mt-10 -69.97 -38.43 76.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.997 -1.064 . . . . 0.0 111.229 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.1 t90 -61.42 -45.05 95.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.515 -1.366 . . . . 0.0 109.197 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD11 ' B' ' 46' ' ' LEU . 68.0 m -61.56 -39.95 92.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.515 -0.741 . . . . 0.0 110.221 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -58.84 -29.42 66.91 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.079 -1.013 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.44 -34.81 11.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.216 -0.927 . . . . 0.0 111.464 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 83.5 m-85 -109.79 -11.0 14.75 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.231 -0.918 . . . . 0.0 113.374 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp . . . . . 0 N--CA 1.504 2.23 0 O-C-N 120.288 -1.507 . . . . 0.0 109.442 -179.627 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -58.25 -50.59 73.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 0.0 110.36 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -33.06 71.6 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 110.088 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.24 -39.47 75.01 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.0 t80 -67.93 -41.05 83.19 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.14 -0.975 . . . . 0.0 110.864 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.9 m -82.58 14.59 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.974 -1.078 . . . . 0.0 109.942 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.69 -6.89 9.65 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.486 -0.759 . . . . 0.0 110.692 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.25 151.92 32.43 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 120.834 -1.166 . . . . 0.0 109.755 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.33 156.58 0.53 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.824 1.683 . . . . 0.0 111.666 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.439 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -90.14 -24.52 21.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.048 -1.032 . . . . 0.0 109.618 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.23 -138.23 39.96 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.64 32.24 4.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.479 -1.012 . . . . 0.0 110.346 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 149.88 83.14 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.09 157.33 62.23 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.384 2.056 . . . . 0.0 112.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.3 p -55.49 -45.5 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.532 -0.73 . . . . 0.0 110.321 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.93 -3.79 1.34 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.5 t -81.53 -23.02 37.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.843 -1.387 . . . . 0.0 108.74 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.98 139.78 58.8 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.319 -0.863 . . . . 0.0 109.139 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 136.99 57.2 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.739 0.781 . . . . 0.0 110.14 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.45 53.26 Favored Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.93 119.87 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.168 -1.196 . . . . 0.0 108.51 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.03 176.13 37.21 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.747 -1.221 . . . . 0.0 110.055 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.06 -39.99 75.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.671 -0.9 . . . . 0.0 110.299 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.92 -42.79 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.638 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 27' ' ' GLY . 93.3 mt -67.37 -38.93 85.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.1 -39.96 96.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.95 -40.03 96.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.241 -1.152 . . . . 0.0 111.143 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.57 -43.41 76.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.533 -1.355 . . . . 0.0 109.781 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.24 -39.95 96.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 108.73 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -41.36 91.79 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.726 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.49 -21.55 66.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.94 . . . . 0.0 109.461 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH1' HG23 ' A' ' 66' ' ' THR . 46.9 mtp180 -90.9 4.48 51.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.27 -0.894 . . . . 0.0 111.021 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.86 45.03 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 120.931 -1.106 . . . . 0.0 111.984 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.84 72.32 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.857 -1.378 . . . . 0.0 107.697 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.05 -9.7 59.72 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.971 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.08 157.89 45.68 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.949 -1.094 . . . . 0.0 110.489 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.44 91.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.678 -0.639 . . . . 0.0 112.636 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -59.91 -18.41 44.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.381 -1.449 . . . . 0.0 111.011 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -77.2 -32.06 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.94 -37.02 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD22 ' CE ' ' A' ' 15' ' ' MET . 16.6 tp -60.0 -39.0 84.26 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.57 98.43 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.97 -41.84 92.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.411 . . . . 0.0 108.751 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.07 -40.9 91.1 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.11 -37.69 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.57 -27.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.456 -0.777 . . . . 0.0 110.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.72 13.91 13.11 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.109 -0.994 . . . . 0.0 110.218 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 47.25 40.48 10.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.826 -1.171 . . . . 0.0 110.313 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.95 20.82 9.85 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.54 -0.725 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.06 112.31 4.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.447 -1.408 . . . . 0.0 108.659 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 86.5 tt0 -66.27 -41.49 89.79 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.423 -0.798 . . . . 0.0 112.87 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.67 -39.53 76.96 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.84 -1.163 . . . . 0.0 110.394 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.57 -39.26 77.47 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.081 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.62 -47.53 81.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 0.0 109.611 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.6 mtt180 -60.12 -47.38 86.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.925 . . . . 0.0 110.879 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.75 -38.98 93.13 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.72 -1.238 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.6 t90 -64.42 -48.08 76.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 111.171 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.93 -46.25 75.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.911 -1.118 . . . . 0.0 110.642 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.18 -46.79 89.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.078 -1.014 . . . . 0.0 110.096 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.75 -27.79 65.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.594 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.458 HG23 ' NH1' ' A' ' 37' ' ' ARG . 96.6 m -75.97 -37.39 58.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.285 -0.884 . . . . 0.0 110.736 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.0 p -131.43 -28.56 1.86 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.607 -1.308 . . . . 0.0 112.249 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.0 16.75 12.87 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 151.79 2.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -1.086 . . . . 0.0 110.151 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.19 170.11 10.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.324 -0.86 . . . . 0.0 109.704 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.38 73.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.0 110.701 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -70.92 -43.41 68.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.799 -1.188 . . . . 0.0 110.599 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.32 -31.71 72.18 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -68.69 -37.63 79.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.056 -1.028 . . . . 0.0 109.814 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.63 -39.1 87.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.017 -1.052 . . . . 0.0 110.192 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.44 -39.92 85.41 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.564 -1.335 . . . . 0.0 110.755 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.98 75.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.761 -1.212 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.4 -60.06 4.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.653 -1.279 . . . . 0.0 110.11 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.41 -33.32 84.23 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.32 -46.56 73.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.747 -1.443 . . . . 0.0 109.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.03 -39.11 75.95 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.735 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -59.99 -43.42 95.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.277 -0.889 . . . . 0.0 110.475 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' O ' ' A' ' 79' ' ' GLY . 1.1 mp0 -70.61 -37.39 73.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.107 -0.996 . . . . 0.0 110.902 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.561 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.3 t90 -60.07 -44.75 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.424 -1.422 . . . . 0.0 108.356 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -39.98 93.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.547 -0.721 . . . . 0.0 109.367 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.98 -33.89 72.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.486 -0.759 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.25 -39.07 18.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.13 -0.981 . . . . 0.0 110.626 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 . . . . . 0 N--CA 1.499 2.019 0 O-C-N 121.165 -0.96 . . . . 0.0 110.643 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -58.25 -50.61 72.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.133 -0.979 . . . . 0.0 110.405 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -32.98 71.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.031 -1.043 . . . . 0.0 110.152 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.33 -39.44 74.74 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.323 -0.86 . . . . 0.0 110.367 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.0 t80 -67.9 -41.01 83.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.173 -0.955 . . . . 0.0 110.886 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -82.72 14.77 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.854 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.78 -7.0 9.61 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.518 -0.739 . . . . 0.0 110.619 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.16 151.91 32.63 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.75 -1.219 . . . . 0.0 109.815 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.35 156.67 0.53 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.856 1.704 . . . . 0.0 111.675 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.445 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -90.17 -24.53 21.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.027 -1.046 . . . . 0.0 109.563 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.05 -138.23 39.29 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.53 32.26 4.19 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.54 -0.976 . . . . 0.0 110.328 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.62 149.91 82.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.988 -1.07 . . . . 0.0 109.168 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.09 157.42 61.79 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.336 2.024 . . . . 0.0 112.666 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.498 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.47 -45.55 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.553 -0.717 . . . . 0.0 110.32 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.498 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.87 -3.78 1.32 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.5 t -81.67 -22.86 37.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.828 -1.395 . . . . 0.0 108.721 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.21 139.74 58.8 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 136.97 57.23 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.667 0.746 . . . . 0.0 110.174 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.75 -19.32 53.89 Favored Glycine 0 N--CA 1.498 2.784 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.97 119.89 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.152 -1.205 . . . . 0.0 108.548 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.424 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.03 176.15 37.23 Favored Glycine 0 N--CA 1.492 2.406 0 O-C-N 120.739 -1.226 . . . . 0.0 110.061 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.03 -39.96 75.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.61 -0.935 . . . . 0.0 110.422 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.88 -42.95 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.924 -1.11 . . . . 0.0 109.64 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.424 HD12 ' H ' ' B' ' 27' ' ' GLY . 93.3 mt -67.12 -39.06 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.361 -0.837 . . . . 0.0 109.683 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.93 96.5 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.04 -40.01 96.45 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.276 -1.132 . . . . 0.0 111.138 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.43 -43.47 77.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.426 -1.421 . . . . 0.0 109.847 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.23 -39.97 96.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 108.752 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.98 -41.23 91.54 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.58 -21.61 66.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.275 -0.891 . . . . 0.0 109.454 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.464 ' NH1' HG23 ' B' ' 66' ' ' THR . 46.9 mtp180 -90.81 4.57 51.36 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.298 -0.876 . . . . 0.0 111.142 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.94 45.16 Favored Glycine 0 N--CA 1.503 3.121 0 O-C-N 120.926 -1.109 . . . . 0.0 111.951 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.97 72.36 1.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.744 -1.445 . . . . 0.0 107.684 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.17 -9.49 59.72 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.938 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.22 157.85 45.74 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.026 -1.046 . . . . 0.0 110.555 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.39 91.62 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -60.03 -18.32 45.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.46 -1.4 . . . . 0.0 111.001 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.16 -32.03 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.99 -36.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' B' ' 15' ' ' MET . 16.6 tp -60.04 -39.12 84.84 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.67 98.31 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.95 -41.84 92.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.988 -1.301 . . . . 0.0 108.655 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.08 -40.83 90.92 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.18 -37.75 81.3 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.46 -27.36 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.438 -0.789 . . . . 0.0 110.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.87 14.13 12.82 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.092 -1.005 . . . . 0.0 110.284 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 47.15 40.46 10.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.822 -1.174 . . . . 0.0 110.361 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 60.11 20.51 9.75 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.567 -0.708 . . . . 0.0 110.612 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -67.84 112.3 4.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.551 -1.343 . . . . 0.0 108.606 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 86.5 tt0 -66.35 -41.53 89.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.524 -0.735 . . . . 0.0 112.822 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.63 -39.43 77.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.816 -1.178 . . . . 0.0 110.374 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.73 -39.17 76.97 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.07 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.68 -47.54 80.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.653 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.6 mtt180 -59.94 -47.72 84.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.876 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.47 -38.97 93.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.686 -1.259 . . . . 0.0 109.48 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.435 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.98 -46.3 75.03 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.925 -1.109 . . . . 0.0 110.663 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.12 -46.86 88.85 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.112 -0.992 . . . . 0.0 110.131 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -69.52 -28.01 65.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 109.675 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.464 HG23 ' NH1' ' B' ' 37' ' ' ARG . 96.6 m -75.93 -37.4 58.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.338 -0.851 . . . . 0.0 110.772 -178.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.29 -28.73 1.87 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.606 -1.309 . . . . 0.0 112.355 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.8 12.63 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.85 3.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -1.138 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.17 170.07 10.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.25 -0.906 . . . . 0.0 109.657 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.18 72.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.487 -0.758 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -71.12 -43.27 67.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 0.0 110.585 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.4 -31.75 72.18 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.17 -0.956 . . . . 0.0 110.341 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.6 p -68.68 -37.62 79.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.062 -1.024 . . . . 0.0 109.811 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.69 -38.92 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 110.289 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.6 -40.01 84.75 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.656 -1.277 . . . . 0.0 110.684 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -70.0 -39.94 75.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.873 -1.142 . . . . 0.0 110.519 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -60.38 -60.02 4.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.661 -1.274 . . . . 0.0 110.206 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.447 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.56 -33.07 83.57 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -67.5 -46.6 72.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.788 -1.419 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.03 -39.15 75.94 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.753 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -60.0 -43.12 95.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.158 -0.964 . . . . 0.0 110.494 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 79' ' ' GLY . 0.9 OUTLIER -71.06 -37.2 72.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 110.654 -179.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.559 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 72.1 t90 -60.13 -44.72 94.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.366 -1.459 . . . . 0.0 108.314 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -40.01 93.62 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.609 -0.682 . . . . 0.0 109.288 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -33.76 72.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.779 . . . . 0.0 109.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.35 -39.15 17.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.16 -0.962 . . . . 0.0 110.552 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.7 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.136 -0.977 . . . . 0.0 110.606 -178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 109.312 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.533 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.4 t60 -59.27 -50.3 74.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 110.422 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 8' ' ' ARG . 52.9 mtm-85 -70.08 -31.09 68.5 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.199 -0.938 . . . . 0.0 109.781 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.92 -39.51 63.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -66.32 -39.99 89.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.028 -1.045 . . . . 0.0 109.978 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.08 18.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.021 -1.049 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -7.21 9.95 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.58 -0.7 . . . . 0.0 110.451 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.63 153.32 31.84 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.196 . . . . 0.0 109.894 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.25 158.91 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.85 1.7 . . . . 0.0 111.722 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.608 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.9 ptp -88.47 -20.44 25.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.916 -1.115 . . . . 0.0 109.066 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.58 13.72 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.88 29.52 6.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.594 -0.945 . . . . 0.0 110.162 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -60.93 149.48 80.94 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.929 -1.107 . . . . 0.0 108.717 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -67.38 158.68 55.87 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.491 2.127 . . . . 0.0 112.779 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.2 p -55.67 -42.64 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.681 -0.637 . . . . 0.0 111.075 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.38 -2.65 3.26 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 t -82.67 -23.74 34.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.847 -1.384 . . . . 0.0 109.344 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.45 138.87 58.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.357 -0.84 . . . . 0.0 109.38 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 135.89 56.11 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.663 0.744 . . . . 0.0 109.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -19.56 48.12 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mm -99.5 120.82 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.227 -1.16 . . . . 0.0 108.37 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.79 175.34 35.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -40.01 82.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.157 . . . . 0.0 110.201 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -46.89 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.97 -1.081 . . . . 0.0 109.586 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.1 -37.97 84.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.02 95.09 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.98 -39.42 93.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.18 . . . . 0.0 110.6 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.72 -45.43 82.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.724 -1.235 . . . . 0.0 109.671 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.43 -37.35 85.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.899 -1.126 . . . . 0.0 108.866 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -40.48 89.14 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.912 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -19.19 64.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 108.925 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -90.13 1.25 56.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.521 -0.737 . . . . 0.0 110.602 -178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.51 45.73 Favored Glycine 0 N--CA 1.504 3.215 0 O-C-N 120.926 -1.109 . . . . 0.0 112.148 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.4 74.08 1.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.82 -1.4 . . . . 0.0 107.928 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -82.61 -10.73 58.83 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.932 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -135.78 156.4 48.87 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.074 -1.016 . . . . 0.0 110.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.22 95.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.705 -0.622 . . . . 0.0 112.677 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.21 -19.96 62.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.452 -1.405 . . . . 0.0 111.259 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.35 -31.91 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.15 -38.28 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.99 -40.0 87.69 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.36 84.14 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.2 -43.1 96.19 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.958 -1.319 . . . . 0.0 109.236 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.03 -39.96 87.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.382 -0.824 . . . . 0.0 108.891 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.7 -37.42 82.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.643 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.59 -28.23 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.55 13.13 12.73 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.084 -1.01 . . . . 0.0 110.451 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.23 40.45 10.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.654 -1.279 . . . . 0.0 110.533 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.4 20.01 9.64 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.568 -0.708 . . . . 0.0 111.039 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.02 107.85 3.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.492 -1.38 . . . . 0.0 108.305 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.71 -40.03 95.78 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.23 -39.99 78.21 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.523 -1.361 . . . . 0.0 110.342 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.89 -38.89 76.47 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.94 -48.93 74.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.97 -46.77 88.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 110.797 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.19 -37.12 85.98 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.815 -1.178 . . . . 0.0 108.973 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -64.44 -46.32 83.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.927 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 tp -69.33 -47.53 64.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.855 -1.153 . . . . 0.0 110.688 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.95 -49.49 77.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.313 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -69.76 -25.7 63.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.375 -0.828 . . . . 0.0 109.711 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 m -80.59 -34.64 35.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 0.0 111.424 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.3 p -132.99 -29.64 1.44 Allowed 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.464 -1.398 . . . . 0.0 112.004 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.5 14.42 18.05 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.09 153.45 3.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.903 -1.351 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.22 172.98 8.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.165 -0.959 . . . . 0.0 109.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.73 72.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.494 -0.754 . . . . 0.0 111.641 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CB ' ' HZ2' ' A' ' 72' ' ' LYS . 8.1 ttpm? -71.31 -42.93 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.43 -1.419 . . . . 0.0 110.722 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -66.84 -35.48 80.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.076 -1.015 . . . . 0.0 110.576 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 t -67.17 -38.6 85.71 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.971 -1.081 . . . . 0.0 110.246 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.97 -37.29 79.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.81 -1.181 . . . . 0.0 109.853 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.73 -37.61 76.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.617 -1.302 . . . . 0.0 110.735 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.95 -41.23 78.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.654 -1.279 . . . . 0.0 109.702 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.72 -59.57 5.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.694 -1.254 . . . . 0.0 109.843 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.27 77.98 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.16 -49.98 62.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.07 -1.253 . . . . 0.0 109.6 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.562 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.04 -42.98 95.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 109.984 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 92.5 mt-10 -69.99 -37.55 75.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -60.02 -42.97 95.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.447 -1.408 . . . . 0.0 107.547 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.66 -40.09 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.747 . . . . 0.0 109.258 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.27 -35.09 74.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 0.0 110.239 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -36.78 18.45 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.113 -0.992 . . . . 0.0 110.372 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.2 m-85 . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.354 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.53 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.7 t60 -59.21 -50.54 73.63 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 110.417 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' B' ' 8' ' ' ARG . 53.0 mtm-85 -69.96 -31.16 68.75 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.304 -0.872 . . . . 0.0 109.827 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.9 -39.41 63.9 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.401 -0.812 . . . . 0.0 110.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.43 -40.0 89.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.83 18.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.976 -1.077 . . . . 0.0 109.383 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.85 -7.05 10.04 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.482 -0.761 . . . . 0.0 110.467 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.78 153.4 31.7 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.799 -1.188 . . . . 0.0 109.865 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.32 158.88 0.19 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.896 1.731 . . . . 0.0 111.718 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.615 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.8 ptp -88.4 -20.6 25.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.977 -1.077 . . . . 0.0 109.06 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -140.4 15.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -105.14 29.53 6.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.986 . . . . 0.0 110.14 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -60.96 149.27 81.87 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 120.999 -1.063 . . . . 0.0 108.827 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.3 158.59 56.28 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.502 2.135 . . . . 0.0 112.831 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.421 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.3 p -55.45 -42.91 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.688 -0.632 . . . . 0.0 111.06 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.421 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -61.08 -2.92 3.08 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.066 -1.021 . . . . 0.0 110.614 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -82.46 -23.67 34.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.751 -1.44 . . . . 0.0 109.411 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.45 138.79 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.458 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 136.19 56.46 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.645 0.736 . . . . 0.0 109.873 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.99 -19.47 49.21 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -99.66 120.83 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.179 -1.189 . . . . 0.0 108.381 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.68 175.38 35.58 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.62 -40.07 82.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.259 -1.142 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.58 -46.76 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.929 -1.107 . . . . 0.0 109.615 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -37.83 83.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.467 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.1 95.14 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.9 -39.3 93.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.338 -1.095 . . . . 0.0 110.621 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.84 -45.47 82.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.641 -1.287 . . . . 0.0 109.591 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.47 -37.31 85.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.946 -1.096 . . . . 0.0 108.86 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.02 -40.57 89.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 0.0 109.948 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.36 -19.02 64.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.23 -0.918 . . . . 0.0 108.971 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -90.22 1.15 56.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 110.598 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.49 45.38 Favored Glycine 0 N--CA 1.504 3.208 0 O-C-N 120.942 -1.099 . . . . 0.0 112.076 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.29 73.98 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.837 -1.39 . . . . 0.0 107.911 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -82.48 -11.03 58.76 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.914 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -135.52 156.35 49.03 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.032 -1.042 . . . . 0.0 110.057 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.26 95.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.669 -0.645 . . . . 0.0 112.644 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.14 -19.95 62.11 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.429 -1.419 . . . . 0.0 111.349 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -77.26 -32.16 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.96 -38.35 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.2 tp -59.98 -39.93 87.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.41 -44.02 85.04 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.58 -42.99 97.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.915 -1.344 . . . . 0.0 109.254 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.94 -39.99 87.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.473 -0.767 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.73 -37.23 81.91 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.476 -0.89 . . . . 0.0 108.643 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.81 -28.33 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.047 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.49 13.07 12.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.058 -1.026 . . . . 0.0 110.384 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.24 40.56 10.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.698 -1.251 . . . . 0.0 110.513 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.47 20.03 9.75 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.506 -0.746 . . . . 0.0 111.06 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -70.17 107.58 3.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.453 -1.404 . . . . 0.0 108.438 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.56 -39.99 95.83 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.25 -40.04 78.11 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.468 -1.395 . . . . 0.0 110.436 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.8 -39.09 76.77 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.002 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.8 -48.93 74.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 109.524 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.01 -46.48 89.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.844 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.47 -37.06 85.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.736 -1.228 . . . . 0.0 108.977 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.46 -46.38 83.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.29 -47.57 64.19 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.853 -1.155 . . . . 0.0 110.627 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.98 -49.55 77.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.032 -1.043 . . . . 0.0 110.224 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -69.67 -25.82 64.08 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.373 -0.829 . . . . 0.0 109.708 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.9 m -80.5 -34.71 35.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 111.501 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 p -132.97 -29.6 1.44 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.439 -1.413 . . . . 0.0 111.924 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.54 14.17 18.64 Favored Glycine 0 N--CA 1.501 3.006 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.99 153.37 3.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.913 -1.346 . . . . 0.0 109.815 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.11 172.96 8.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.19 -0.944 . . . . 0.0 109.821 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.84 73.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.545 -0.722 . . . . 0.0 111.652 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.428 ' HZ3' HE22 ' B' ' 73' ' ' GLN . 8.1 ttpm? -71.34 -42.89 67.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.411 -1.431 . . . . 0.0 110.675 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.428 HE22 ' HZ3' ' B' ' 72' ' ' LYS . 5.5 mp0 -66.88 -35.34 79.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.959 -1.088 . . . . 0.0 110.592 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -67.2 -38.65 85.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.965 -1.084 . . . . 0.0 110.296 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.0 -37.45 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.765 -1.21 . . . . 0.0 109.744 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.52 -37.61 77.19 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.91 -41.29 78.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.673 -1.267 . . . . 0.0 109.732 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.64 -59.59 5.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.765 -1.209 . . . . 0.0 109.779 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -33.07 77.94 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.25 -49.99 62.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.099 -1.236 . . . . 0.0 109.493 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.11 -39.98 75.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 118.979 -1.089 . . . . 0.0 109.639 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -42.95 95.46 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 110.04 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.2 mt-10 -70.03 -37.55 75.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 110.777 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.3 t90 -60.03 -42.93 95.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.575 -1.328 . . . . 0.0 107.657 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.6 -40.08 93.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.588 -0.695 . . . . 0.0 109.284 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.29 -35.18 74.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.489 -0.757 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.67 -36.72 18.57 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.216 -0.928 . . . . 0.0 110.338 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.3 m-85 -105.92 -86.69 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.213 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 mttt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.786 0.326 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.467 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 45.9 t60 -59.83 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 110.147 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 8' ' ' ARG . 51.8 mtt-85 -69.99 -34.26 73.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.913 . . . . 0.0 110.278 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.1 -37.28 75.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.314 -0.866 . . . . 0.0 109.653 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -62.89 -46.56 87.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.502 -0.749 . . . . 0.0 109.832 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 m -81.58 14.99 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.316 -0.865 . . . . 0.0 110.502 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.95 -9.45 14.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.304 -0.872 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.41 153.81 29.74 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.93 -1.106 . . . . 0.0 109.75 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.69 160.62 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.875 1.716 . . . . 0.0 111.622 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.46 -25.03 20.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 109.767 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.64 -136.84 31.89 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.58 29.91 6.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.448 -1.031 . . . . 0.0 110.648 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -60.49 148.54 80.41 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 120.747 -1.221 . . . . 0.0 108.269 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.34 155.89 67.8 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.12 1.88 . . . . 0.0 112.538 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -53.81 -46.99 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.621 -0.674 . . . . 0.0 110.834 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.69 -4.07 0.35 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' VAL . 33.8 t -81.14 -19.98 42.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.725 -1.456 . . . . 0.0 109.183 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.29 138.78 58.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.782 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.22 57.19 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.719 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -20.0 52.18 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mm -98.84 114.09 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.154 -1.204 . . . . 0.0 108.032 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.7 179.54 38.62 Favored Glycine 0 N--CA 1.495 2.6 0 O-C-N 120.594 -1.317 . . . . 0.0 110.205 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.513 -0.992 . . . . 0.0 110.169 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.22 -48.21 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.872 -1.143 . . . . 0.0 109.515 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.39 -37.41 85.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 109.226 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.46 -39.2 94.59 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.96 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -1.071 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -65.84 -47.53 74.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.918 -1.114 . . . . 0.0 109.487 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.39 -39.99 96.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 0.0 109.26 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.07 -41.05 91.58 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.539 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.35 -19.43 65.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.367 -0.833 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -90.26 0.47 57.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 111.073 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.31 4.71 40.74 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.979 -1.075 . . . . 0.0 111.717 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -104.99 73.73 1.07 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.818 -1.401 . . . . 0.0 108.251 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.05 -10.13 59.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.426 -0.796 . . . . 0.0 111.259 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -136.84 157.49 46.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.886 -1.134 . . . . 0.0 110.23 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.53 92.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -59.02 -19.24 41.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.415 -1.428 . . . . 0.0 111.2 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -77.86 -34.26 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.367 . . . . 0.0 107.572 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.93 -34.49 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.06 -42.0 94.81 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.96 -45.49 92.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.947 -1.325 . . . . 0.0 109.096 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -39.97 87.79 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.313 -0.867 . . . . 0.0 109.016 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.8 -38.64 80.1 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.43 -26.84 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.235 -0.915 . . . . 0.0 111.171 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.91 15.96 7.68 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.909 -1.12 . . . . 0.0 110.642 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? 50.8 33.22 8.16 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.027 -1.045 . . . . 0.0 110.835 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.486 -0.758 . . . . 0.0 111.013 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.22 117.32 10.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.417 -1.427 . . . . 0.0 108.46 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.06 -40.55 94.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.361 -0.837 . . . . 0.0 113.198 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.93 -39.27 76.22 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.311 -1.493 . . . . 0.0 110.675 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.93 -39.32 76.18 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.199 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.44 -49.52 71.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.897 . . . . 0.0 109.53 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.99 -47.19 86.83 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.74 -37.11 86.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.978 -1.076 . . . . 0.0 109.279 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -67.94 -42.78 80.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.38 -46.29 67.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.07 . . . . 0.0 110.699 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.08 -48.9 78.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 0.0 110.533 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.85 -24.87 63.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 0.0 109.736 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.1 m -80.2 -34.22 37.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.163 -0.961 . . . . 0.0 110.934 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -133.06 -27.86 1.59 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.589 -1.319 . . . . 0.0 111.861 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.85 13.81 26.57 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.7 154.29 2.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.105 -1.232 . . . . 0.0 109.084 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.52 173.61 7.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.048 . . . . 0.0 110.343 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.02 74.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.688 -0.632 . . . . 0.0 110.431 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.76 -40.95 72.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.72 -1.237 . . . . 0.0 110.034 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.39 -38.63 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.352 -0.842 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -67.63 -38.07 83.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.184 -0.947 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -37.55 80.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.731 -1.231 . . . . 0.0 109.481 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.82 -39.94 83.86 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.709 -1.244 . . . . 0.0 110.785 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.8 -40.01 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.806 -1.184 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 66.4 t80 -59.48 -60.49 3.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.621 -1.3 . . . . 0.0 110.322 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.52 -31.55 74.99 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.53 -49.85 56.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.94 -1.329 . . . . 0.0 109.746 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.35 -40.04 70.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.97 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 82' ' ' ARG . 36.0 ttt-85 -62.94 -40.55 98.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.929 -1.107 . . . . 0.0 110.461 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 93.5 mt-10 -70.07 -38.5 75.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.165 -0.959 . . . . 0.0 110.544 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 89.6 t90 -62.39 -45.62 92.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.77 -1.206 . . . . 0.0 109.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.23 -40.1 89.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.332 -0.855 . . . . 0.0 109.571 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.2 -29.02 65.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 109.726 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.18 -34.46 12.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.202 -0.936 . . . . 0.0 110.974 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 . . . . . 0 N--CA 1.505 2.304 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.757 0.313 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 46.3 t60 -59.76 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.746 -1.221 . . . . 0.0 110.102 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 8' ' ' ARG . 51.8 mtt-85 -69.91 -34.32 73.34 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 110.255 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.08 -37.44 75.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.7 -46.68 87.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.805 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.67 15.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.253 -0.904 . . . . 0.0 110.474 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.97 -9.62 14.0 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.37 153.88 29.88 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.01 -1.056 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.68 160.69 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.908 1.739 . . . . 0.0 111.565 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -90.6 -24.84 20.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.013 -1.054 . . . . 0.0 109.661 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.83 30.59 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.49 29.93 6.12 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.406 -1.055 . . . . 0.0 110.593 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -60.52 148.68 80.31 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.756 -1.215 . . . . 0.0 108.271 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 155.93 67.83 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.14 1.893 . . . . 0.0 112.478 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.547 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.5 p -53.78 -47.07 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.57 -0.706 . . . . 0.0 110.823 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.547 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -54.73 -3.93 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.0 t -81.32 -19.9 41.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.857 -1.378 . . . . 0.0 109.089 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.4 138.68 58.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.773 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.21 57.18 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.541 0.686 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 -19.98 52.3 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mm -98.93 114.19 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.111 -1.229 . . . . 0.0 107.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.69 179.59 38.64 Favored Glycine 0 N--CA 1.495 2.592 0 O-C-N 120.625 -1.297 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.537 -0.978 . . . . 0.0 110.119 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.28 -48.19 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.88 -1.137 . . . . 0.0 109.527 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.35 -37.48 85.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.264 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.4 -39.21 94.51 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.98 -39.99 95.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -1.043 . . . . 0.0 110.132 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -65.94 -47.43 74.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.784 -1.198 . . . . 0.0 109.428 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 -39.96 95.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.206 -0.934 . . . . 0.0 109.164 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.06 -41.11 91.63 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.519 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.28 -19.5 65.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -90.26 0.59 57.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.526 -0.734 . . . . 0.0 111.018 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.27 4.68 40.86 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 120.819 -1.176 . . . . 0.0 111.706 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.96 73.7 1.08 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.79 -1.418 . . . . 0.0 108.284 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.16 -10.01 59.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.439 -0.788 . . . . 0.0 111.315 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.86 157.48 46.65 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.895 -1.128 . . . . 0.0 110.232 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.43 92.28 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -58.96 -19.41 42.87 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.369 -1.457 . . . . 0.0 111.1 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -77.9 -34.16 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.519 -1.363 . . . . 0.0 107.514 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.99 -34.46 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.01 -39.29 85.3 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.07 94.5 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.98 -45.53 92.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.943 -1.328 . . . . 0.0 109.021 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.386 -0.821 . . . . 0.0 109.06 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.75 -38.73 80.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.727 -0.789 . . . . 0.0 108.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.39 -26.74 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -89.03 16.12 7.58 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.868 -1.145 . . . . 0.0 110.579 -178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 50.56 33.34 7.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.913 -1.117 . . . . 0.0 110.813 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.0 19.98 9.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.612 -0.68 . . . . 0.0 111.024 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.24 117.28 10.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.358 -1.464 . . . . 0.0 108.434 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.98 -40.75 95.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.397 -0.814 . . . . 0.0 113.16 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.66 -39.32 77.13 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.375 -1.453 . . . . 0.0 110.776 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.97 -39.2 76.11 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.282 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -64.54 -49.47 71.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 109.53 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.1 -47.32 86.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.415 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.57 -37.12 86.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.053 -1.029 . . . . 0.0 109.314 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -68.03 -42.63 80.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.55 -46.3 66.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.902 -1.124 . . . . 0.0 110.578 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.0 -48.93 78.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.038 -1.039 . . . . 0.0 110.562 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.82 -24.91 63.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.697 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -80.25 -34.27 37.26 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.199 -0.938 . . . . 0.0 110.947 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.95 -27.93 1.6 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.58 -1.325 . . . . 0.0 111.783 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.9 13.91 26.25 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.76 154.33 2.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.019 -1.283 . . . . 0.0 109.107 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.6 173.55 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.045 -1.034 . . . . 0.0 110.379 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.99 74.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.631 -0.668 . . . . 0.0 110.536 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.8 -40.93 72.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.712 -1.243 . . . . 0.0 110.049 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.5 -38.46 84.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.419 -0.801 . . . . 0.0 110.892 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -67.73 -38.06 83.05 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.13 -0.981 . . . . 0.0 110.447 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.13 -37.35 79.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.776 -1.202 . . . . 0.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.01 -40.01 83.06 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.776 -1.203 . . . . 0.0 110.731 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.67 -40.13 80.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.814 -1.179 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.44 -60.4 3.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.656 -1.277 . . . . 0.0 110.362 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -31.58 75.55 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -68.52 -49.76 57.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.017 -1.284 . . . . 0.0 109.753 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -71.34 -40.07 70.93 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.945 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' B' ' 82' ' ' ARG . 35.9 ttt-85 -63.04 -40.55 98.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.989 -1.069 . . . . 0.0 110.418 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 93.4 mt-10 -69.95 -38.53 76.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.103 -0.998 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 89.8 t90 -62.48 -45.56 92.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.681 -1.262 . . . . 0.0 109.259 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.15 -40.09 88.65 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.258 -0.901 . . . . 0.0 109.594 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.29 -28.92 65.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.16 -34.45 12.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.203 -0.936 . . . . 0.0 111.015 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -111.63 -10.08 14.12 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.157 -1.589 . . . . 0.0 109.464 -179.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.99 -52.4 65.53 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.166 -0.959 . . . . 0.0 110.284 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 98.2 mtt180 -69.95 -33.31 71.95 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.964 -1.085 . . . . 0.0 110.311 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -64.59 -39.98 94.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.949 -1.094 . . . . 0.0 108.539 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.12 -46.8 85.61 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.776 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' CA ' ' A' ' 84' ' ' TRP . 34.1 m -93.06 7.79 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 120.928 -1.108 . . . . 0.0 111.4 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -98.09 -20.73 17.17 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.945 -1.097 . . . . 0.0 108.808 177.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -149.47 151.17 32.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.26 160.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.786 1.658 . . . . 0.0 111.85 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -89.31 -27.37 20.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.976 . . . . 0.0 109.457 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.91 -139.95 35.65 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.08 31.4 4.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.486 -1.008 . . . . 0.0 110.058 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.01 148.09 78.27 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.069 -1.019 . . . . 0.0 108.404 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.77 155.68 65.98 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.453 2.102 . . . . 0.0 112.808 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG23 HG21 ' A' ' 45' ' ' VAL . 7.6 p -53.08 -39.0 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.598 -0.689 . . . . 0.0 110.4 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -64.35 -3.4 9.26 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -80.8 -17.46 50.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.041 -1.27 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 81' ' ' LEU . 90.8 mt -64.28 133.16 52.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.36 -0.838 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 137.43 58.24 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.907 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.3 -20.15 51.06 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -100.01 120.0 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 121.183 -1.187 . . . . 0.0 108.619 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.9 177.0 39.79 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 120.713 -1.242 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -40.02 82.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.606 -0.938 . . . . 0.0 111.097 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -43.76 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.722 -1.236 . . . . 0.0 109.471 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.62 -37.64 82.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.306 -0.872 . . . . 0.0 109.38 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.91 96.19 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -63.66 -38.15 90.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -1.15 . . . . 0.0 110.348 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.87 -44.16 81.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.757 -1.214 . . . . 0.0 109.92 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.21 -39.47 94.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.95 -1.094 . . . . 0.0 109.156 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -42.2 93.88 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.769 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.72 -19.37 65.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 108.839 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' A' ' 37' ' ' ARG . 34.5 mtt-85 -89.98 1.86 55.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.398 -0.814 . . . . 0.0 110.458 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.59 4.6 49.22 Favored Glycine 0 N--CA 1.502 3.081 0 O-C-N 121.128 -0.983 . . . . 0.0 111.833 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.01 74.3 1.3 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.822 -1.399 . . . . 0.0 108.572 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -82.36 -12.66 57.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.391 -0.818 . . . . 0.0 110.294 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.58 149.86 50.45 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.228 -0.92 . . . . 0.0 109.555 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.04 94.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.54 -0.725 . . . . 0.0 111.22 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -58.86 -18.97 37.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.215 . . . . 0.0 111.327 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.79 -32.61 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.422 -1.424 . . . . 0.0 107.321 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 20' ' ' VAL . 89.2 t -77.91 -34.88 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 21.4 tp -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.05 -41.62 98.08 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.23 -40.16 89.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.921 -1.341 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -38.98 81.65 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.29 -30.49 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.326 -0.859 . . . . 0.0 110.73 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.75 13.8 9.86 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.969 -1.082 . . . . 0.0 110.299 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 49.91 35.83 10.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.892 -1.13 . . . . 0.0 109.745 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 60.11 20.91 10.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.563 -0.711 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -67.57 111.81 4.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.54 -1.35 . . . . 0.0 108.007 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.01 -40.02 94.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.343 -0.848 . . . . 0.0 112.704 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.4 m-20 -67.97 -39.98 83.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.531 -1.356 . . . . 0.0 109.905 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.02 -39.03 76.04 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.415 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.86 -46.35 82.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.6 mtm180 -60.04 -46.44 89.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.036 -1.04 . . . . 0.0 111.313 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -64.47 -36.05 82.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.694 -1.254 . . . . 0.0 109.051 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -62.44 -49.53 75.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 111.4 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -49.24 62.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.005 -1.06 . . . . 0.0 110.59 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.12 -47.21 83.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.933 . . . . 0.0 109.936 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 30.0 t0 -67.91 -27.6 66.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.535 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 m -78.98 -37.06 40.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 111.472 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.32 -23.59 2.65 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.629 -1.294 . . . . 0.0 112.275 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 13.33 30.31 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 155.43 2.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.188 -1.183 . . . . 0.0 109.448 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -88.01 169.65 11.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.987 -1.071 . . . . 0.0 109.467 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -28.29 69.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.434 -0.791 . . . . 0.0 110.683 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.14 -42.41 72.59 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.807 -1.183 . . . . 0.0 110.402 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.895 . . . . 0.0 110.748 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.26 -39.12 89.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.898 -1.126 . . . . 0.0 110.303 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -59.92 -38.86 83.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.811 -1.181 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.82 -38.21 79.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.866 -1.147 . . . . 0.0 110.568 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.36 -39.91 81.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.823 -1.173 . . . . 0.0 109.496 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.94 -60.41 3.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.026 -1.046 . . . . 0.0 109.975 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.37 -33.23 83.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.0 t -68.77 -49.15 61.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.997 -1.296 . . . . 0.0 109.727 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 23' ' ' LEU . 95.7 mt -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.385 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -62.39 -40.86 97.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 110.275 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.09 -36.69 80.2 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.031 -1.043 . . . . 0.0 109.825 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.501 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 68.0 t90 -59.82 -43.37 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.66 -1.275 . . . . 0.0 107.659 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 m -61.59 -40.63 95.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.418 -0.801 . . . . 0.0 108.84 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.36 -39.56 87.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.49 -38.82 16.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.142 -0.974 . . . . 0.0 110.674 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.3 m-85 . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.201 -0.937 . . . . 0.0 110.517 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -59.98 -52.44 65.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.031 -1.043 . . . . 0.0 110.313 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 98.1 mtt180 -70.0 -33.21 71.73 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.978 -1.076 . . . . 0.0 110.241 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.75 -40.13 94.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.972 -1.08 . . . . 0.0 108.392 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.62 -46.93 85.98 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.901 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.443 HG12 ' CA ' ' B' ' 84' ' ' TRP . 34.0 m -93.38 8.34 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.824 -1.172 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -98.39 -20.99 16.83 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.018 -1.051 . . . . 0.0 108.665 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -149.33 151.16 33.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.29 160.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.79 1.66 . . . . 0.0 111.807 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.0 ptp -89.56 -26.92 20.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.131 -0.98 . . . . 0.0 109.509 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.43 -140.23 33.3 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -104.73 31.41 4.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.503 -0.998 . . . . 0.0 110.196 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.98 148.24 77.67 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 120.994 -1.067 . . . . 0.0 108.399 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.73 155.65 66.01 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.426 2.084 . . . . 0.0 112.884 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.449 HG23 HG21 ' B' ' 45' ' ' VAL . 7.6 p -53.08 -39.09 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.68 -0.638 . . . . 0.0 110.307 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -64.3 -3.04 8.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -81.16 -17.62 49.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.328 . . . . 0.0 108.895 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 81' ' ' LEU . 90.5 mt -64.24 133.05 52.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.825 . . . . 0.0 109.57 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.58 136.93 58.19 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.043 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.73 -19.89 51.59 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.14 119.98 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.223 -1.163 . . . . 0.0 108.501 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.82 176.94 39.86 Favored Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.754 -1.216 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.73 -39.96 82.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.919 . . . . 0.0 111.105 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -44.02 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.712 -1.242 . . . . 0.0 109.398 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.43 -37.51 83.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.39 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.03 96.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -63.53 -38.6 91.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.205 -1.174 . . . . 0.0 110.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.11 -39.44 94.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.258 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.848 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.73 -19.48 65.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 0.0 108.805 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.482 HH11 ' HG2' ' B' ' 37' ' ' ARG . 34.4 mtt-85 -90.02 2.52 55.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.442 -0.786 . . . . 0.0 110.413 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.07 4.61 50.85 Favored Glycine 0 N--CA 1.502 3.088 0 C-N-CA 120.224 -0.989 . . . . 0.0 111.868 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.22 74.66 1.3 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.903 -1.351 . . . . 0.0 108.546 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -82.88 -12.36 57.46 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.304 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.7 150.08 50.41 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.228 -0.92 . . . . 0.0 109.558 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.65 92.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.556 -0.715 . . . . 0.0 111.211 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -59.15 -19.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.77 -1.206 . . . . 0.0 111.297 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.67 -32.05 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.517 -1.364 . . . . 0.0 107.408 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.449 HG21 HG23 ' B' ' 20' ' ' VAL . 88.3 t -78.28 -34.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 21.9 tp -59.98 -37.87 80.91 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.77 98.03 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.951 -1.323 . . . . 0.0 109.039 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.96 -39.95 87.36 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -39.46 81.51 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.81 -30.3 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.417 -0.802 . . . . 0.0 110.816 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -88.1 14.33 9.38 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.106 -0.996 . . . . 0.0 110.31 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 49.6 35.87 9.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.839 -1.163 . . . . 0.0 109.638 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 60.03 20.29 9.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.97 111.89 4.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.536 -1.352 . . . . 0.0 107.934 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.15 -40.17 94.0 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.307 -0.87 . . . . 0.0 112.652 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.3 m-20 -67.76 -39.86 84.13 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.404 -1.435 . . . . 0.0 109.969 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.96 -38.98 76.27 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.434 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -65.1 -46.21 81.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.7 mtm180 -59.98 -47.12 87.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.653 -1.279 . . . . 0.0 109.231 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -62.72 -49.25 75.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 111.464 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -68.18 -49.54 60.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.119 -0.988 . . . . 0.0 110.5 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.78 -47.32 84.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.112 -0.993 . . . . 0.0 109.959 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.88 -27.6 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -79.03 -37.04 40.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 111.452 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.16 -24.07 2.64 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.64 -1.288 . . . . 0.0 112.288 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.91 13.89 28.23 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.62 155.47 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -1.187 . . . . 0.0 109.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -87.99 169.63 11.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.986 -1.071 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.0 69.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.433 -0.792 . . . . 0.0 110.645 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.34 -42.49 71.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.848 -1.158 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.02 -36.58 82.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 0.0 110.797 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.52 -38.91 88.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.036 -1.04 . . . . 0.0 110.283 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.0 -38.57 83.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.738 -1.226 . . . . 0.0 109.563 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.13 -38.57 78.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.72 -1.238 . . . . 0.0 110.515 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -67.98 -40.05 83.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.846 -1.159 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.88 -60.27 4.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.968 -1.082 . . . . 0.0 110.09 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.06 83.48 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.82 -49.19 60.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.984 -1.303 . . . . 0.0 109.749 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.655 HD21 HD22 ' B' ' 23' ' ' LEU . 95.8 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.26 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.6 -40.44 96.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.152 -0.967 . . . . 0.0 110.256 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.044 -1.035 . . . . 0.0 109.809 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.51 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 68.0 t90 -59.95 -43.23 95.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.687 -1.258 . . . . 0.0 107.716 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 m -61.73 -40.59 95.62 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.67 -39.03 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.57 -0.706 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.81 -39.03 16.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 110.595 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -104.31 -85.84 0.46 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.423 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.331 -179.538 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.136 0.493 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.492 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.7 t60 -59.61 -51.83 68.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -70.02 -33.95 72.66 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.916 -1.115 . . . . 0.0 109.982 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -71.1 -38.49 72.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.552 -0.718 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.93 -41.33 82.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.0 110.236 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.47 13.4 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 109.558 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.48 -9.3 13.82 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.497 -0.752 . . . . 0.0 110.882 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.52 153.85 28.52 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 120.862 -1.149 . . . . 0.0 109.276 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.74 160.35 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.829 1.686 . . . . 0.0 111.478 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.613 ' HE3' HD22 ' A' ' 46' ' ' LEU . 7.8 ptp -88.54 -20.96 24.39 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.8 -140.02 16.73 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -102.4 27.58 6.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.403 -1.057 . . . . 0.0 110.719 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -60.43 149.88 75.54 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.887 -1.133 . . . . 0.0 108.697 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 159.99 51.31 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.338 2.025 . . . . 0.0 112.493 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.1 p -55.01 -47.57 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.656 -0.653 . . . . 0.0 110.556 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.0 -4.12 0.15 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 20' ' ' VAL . 14.8 t -82.91 -21.43 34.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.738 -1.448 . . . . 0.0 109.607 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 136.37 57.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.459 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 138.84 58.67 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.674 0.75 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.07 -16.51 60.78 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -100.91 116.66 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.352 -1.087 . . . . 0.0 108.315 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.428 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.71 178.24 37.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -59.45 -40.12 85.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -1.079 . . . . 0.0 110.215 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.09 -45.72 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.882 -1.136 . . . . 0.0 108.992 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.4 mt -65.25 -37.05 86.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.503 -0.748 . . . . 0.0 109.279 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.96 95.42 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.01 -40.03 95.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -1.175 . . . . 0.0 110.419 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.94 -48.82 67.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.761 -1.212 . . . . 0.0 109.664 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.37 -40.01 92.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.994 -1.066 . . . . 0.0 109.221 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -41.26 91.78 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.623 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.53 -19.4 64.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 109.112 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -90.02 -0.01 57.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.53 -0.731 . . . . 0.0 110.33 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.66 3.61 43.19 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.023 -1.048 . . . . 0.0 111.887 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.75 75.06 1.27 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.827 -1.396 . . . . 0.0 108.148 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -82.22 -10.42 59.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 111.131 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.7 159.27 42.53 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.937 -1.102 . . . . 0.0 110.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.33 88.96 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.36 -20.08 58.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 111.652 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.47 -33.46 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.407 -1.433 . . . . 0.0 107.503 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.11 -38.39 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.613 HD22 ' HE3' ' A' ' 15' ' ' MET . 59.4 tp -60.0 -39.88 87.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.33 -47.3 56.47 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -60.76 -42.96 98.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.068 -1.254 . . . . 0.0 109.596 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.01 -41.29 91.83 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.208 -0.932 . . . . 0.0 108.792 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.49 -37.88 83.52 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.12 -25.58 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 14.11 10.5 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.949 -1.094 . . . . 0.0 110.242 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.0 36.68 8.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.894 -1.129 . . . . 0.0 110.396 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.04 20.4 9.55 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.437 -0.789 . . . . 0.0 110.841 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.54 114.56 5.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.22 -1.55 . . . . 0.0 108.207 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.48 -42.37 92.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.368 -0.832 . . . . 0.0 112.77 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.7 m-20 -68.74 -39.78 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.561 -1.337 . . . . 0.0 110.061 -178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.03 -38.79 75.98 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.015 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.08 -48.01 77.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.0 109.845 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.8 mtm180 -60.06 -46.94 87.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.267 -0.896 . . . . 0.0 111.334 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.09 -35.68 81.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.66 -1.275 . . . . 0.0 109.238 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -61.64 -49.22 77.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 111.512 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.09 -45.1 74.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.813 -1.179 . . . . 0.0 110.37 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.66 -49.18 76.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.012 -1.055 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.8 t0 -67.15 -29.63 69.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.524 -0.735 . . . . 0.0 109.42 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.8 m -76.63 -35.57 57.95 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.512 -0.742 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.19 -31.4 1.12 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.676 -1.265 . . . . 0.0 112.243 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.74 17.65 8.97 Favored Glycine 0 N--CA 1.503 3.132 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 153.53 2.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.093 -1.24 . . . . 0.0 109.453 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.29 170.64 10.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.062 -1.024 . . . . 0.0 109.843 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.44 70.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.532 -0.73 . . . . 0.0 110.998 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.49 -41.41 66.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.877 -1.139 . . . . 0.0 110.695 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -38.12 85.11 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.23 -0.919 . . . . 0.0 110.746 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.8 m -66.19 -36.79 84.01 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.946 . . . . 0.0 109.737 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 75' ' ' ARG . 19.6 mmm-85 -60.07 -38.96 84.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.977 -1.077 . . . . 0.0 109.491 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -68.43 -39.93 81.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.794 -1.191 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.94 -39.94 79.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.689 -1.257 . . . . 0.0 109.85 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -60.41 3.86 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.727 -1.233 . . . . 0.0 110.136 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.63 81.91 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.65 -44.97 72.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.282 . . . . 0.0 109.821 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.92 -39.03 76.38 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.936 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.37 -40.58 91.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 0.0 110.016 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 98.2 mt-10 -69.96 -39.16 76.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.207 -0.933 . . . . 0.0 110.92 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.6 t90 -61.82 -46.92 87.41 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.393 -1.442 . . . . 0.0 108.402 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -60.1 -40.04 88.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -0.824 . . . . 0.0 109.839 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.48 -31.9 69.77 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.134 -0.979 . . . . 0.0 110.05 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.65 -31.71 15.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.163 -0.961 . . . . 0.0 110.718 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 89.1 m-85 . . . . . 0 N--CA 1.503 2.218 0 O-C-N 121.258 -0.901 . . . . 0.0 111.913 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.209 0.528 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.6 t60 -59.65 -51.87 67.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.071 -1.018 . . . . 0.0 110.819 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -70.15 -33.7 72.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.87 -1.144 . . . . 0.0 109.873 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.29 -38.15 71.8 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.517 -0.74 . . . . 0.0 110.115 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -68.27 -41.14 81.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.149 -0.969 . . . . 0.0 110.278 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.64 13.2 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.021 -1.049 . . . . 0.0 109.521 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.28 -9.17 13.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.763 . . . . 0.0 110.781 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -154.59 153.92 28.54 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.735 -1.228 . . . . 0.0 109.369 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -43.75 160.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.472 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.596 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.9 ptp -88.45 -21.0 24.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.982 -1.074 . . . . 0.0 109.709 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.99 -140.04 17.75 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -102.44 27.93 6.4 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.491 -1.006 . . . . 0.0 110.592 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -60.74 149.9 77.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.849 -1.157 . . . . 0.0 108.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.72 159.94 51.58 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.328 2.018 . . . . 0.0 112.521 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -55.02 -47.51 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.684 -0.635 . . . . 0.0 110.556 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.472 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.1 -4.22 0.17 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 15.1 t -82.69 -21.43 34.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.716 -1.461 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.48 136.54 57.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -0.997 . . . . 0.0 109.49 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.608 0.718 . . . . 0.0 109.698 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 -16.66 60.39 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -100.9 116.58 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.328 -1.101 . . . . 0.0 108.32 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . 0.415 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.72 178.33 37.86 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.51 -40.04 85.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -1.086 . . . . 0.0 110.362 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.17 -45.68 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 108.995 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.415 HD12 ' H ' ' B' ' 27' ' ' GLY . 90.8 mt -65.27 -37.0 85.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.456 -0.777 . . . . 0.0 109.301 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.45 -40.04 95.65 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.92 -39.89 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -1.105 . . . . 0.0 110.483 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.97 -48.58 68.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.621 -1.299 . . . . 0.0 109.809 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.58 -39.88 92.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.856 -1.152 . . . . 0.0 109.194 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -41.23 91.93 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.611 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.6 -19.28 64.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.295 -0.878 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.98 -0.1 57.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.756 . . . . 0.0 110.329 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.51 3.55 43.69 Favored Glycine 0 N--CA 1.504 3.223 0 O-C-N 121.08 -1.012 . . . . 0.0 111.89 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.57 74.9 1.28 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.794 -1.415 . . . . 0.0 108.225 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -81.87 -10.78 59.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.469 -0.77 . . . . 0.0 111.132 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.42 159.12 42.87 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.62 88.01 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.01 -20.15 56.29 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.418 -1.426 . . . . 0.0 111.63 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.42 -33.67 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.343 -1.473 . . . . 0.0 107.551 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.95 -38.27 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.596 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.8 tp -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.56 -46.81 58.48 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.98 -42.97 99.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.54 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -60.1 -41.3 92.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.918 . . . . 0.0 108.781 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.44 -37.96 83.81 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.06 -25.73 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.327 -0.858 . . . . 0.0 110.674 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.32 14.01 10.42 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.866 -1.146 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 48.99 36.8 9.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.854 -1.154 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 59.88 20.55 9.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.444 -0.785 . . . . 0.0 110.866 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -66.66 114.27 5.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.284 -1.51 . . . . 0.0 108.262 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.25 -42.14 93.61 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.819 . . . . 0.0 112.827 -178.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.4 m-20 -68.96 -39.95 79.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.592 -1.318 . . . . 0.0 110.064 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.8 -38.91 76.79 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.085 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.91 -48.03 78.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.815 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.6 mtm180 -60.06 -46.7 88.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 111.467 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.2 -36.0 82.65 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.749 -1.22 . . . . 0.0 109.285 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -61.39 -49.27 77.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.133 -0.98 . . . . 0.0 111.58 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.02 -44.98 75.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.906 -1.122 . . . . 0.0 110.427 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.78 -49.13 76.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.325 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.15 -29.81 69.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.454 -0.779 . . . . 0.0 109.409 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.5 m -76.44 -35.92 58.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.409 -0.807 . . . . 0.0 111.005 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.02 -31.42 1.14 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.652 -1.28 . . . . 0.0 112.302 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.88 17.33 9.11 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.17 153.59 2.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.44 170.71 10.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.111 -0.993 . . . . 0.0 109.855 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.52 70.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.499 -0.75 . . . . 0.0 110.868 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.53 -41.27 66.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.937 -1.102 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.0 -38.3 85.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.862 . . . . 0.0 110.742 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -66.0 -36.8 84.27 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.186 -0.946 . . . . 0.0 109.784 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' B' ' 75' ' ' ARG . 19.5 mmm-85 -60.04 -38.94 84.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.947 -1.096 . . . . 0.0 109.57 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.33 -39.91 81.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.782 -1.199 . . . . 0.0 110.822 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.98 -40.06 79.04 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.704 -1.247 . . . . 0.0 109.77 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.98 -60.45 3.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.657 -1.277 . . . . 0.0 110.092 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.39 -32.74 82.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.54 -45.08 73.12 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.255 . . . . 0.0 109.79 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.03 -39.05 75.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.977 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.18 -40.69 90.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.951 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.49 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 98.3 mt-10 -69.99 -39.14 76.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.823 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.1 t90 -61.58 -47.16 86.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.415 -1.428 . . . . 0.0 108.399 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' B' ' 89' ' ' LEU . 35.5 m -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.465 -0.772 . . . . 0.0 109.951 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.44 -32.0 69.81 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.165 -0.959 . . . . 0.0 110.058 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.55 -31.64 15.13 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.149 -0.969 . . . . 0.0 110.803 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 89.0 m-85 -111.13 2.32 17.79 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.266 -0.896 . . . . 0.0 111.779 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.2 tp . . . . . 0 N--CA 1.501 2.075 0 O-C-N 120.731 -1.23 . . . . 0.0 109.375 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.02 -51.31 70.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 110.75 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -69.94 -32.0 70.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.165 -0.96 . . . . 0.0 109.818 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -72.56 -39.68 67.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.458 -0.776 . . . . 0.0 110.446 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.74 -40.0 84.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 110.285 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.98 17.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.058 . . . . 0.0 110.02 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.41 -5.35 9.85 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.411 -0.806 . . . . 0.0 110.593 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.76 150.04 22.23 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.733 -1.229 . . . . 0.0 109.789 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -41.94 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.195 1.93 . . . . 0.0 111.867 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.661 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.8 ptp -92.47 -21.15 20.33 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.072 -1.018 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.97 -139.96 32.06 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -104.8 32.26 4.26 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.478 -1.013 . . . . 0.0 109.906 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.07 149.65 73.62 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.979 -1.076 . . . . 0.0 109.296 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.31 156.95 64.04 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.2 p -55.09 -41.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.539 -0.726 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.43 -4.38 9.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t -81.55 -21.4 38.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.706 -1.467 . . . . 0.0 109.195 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.33 141.04 58.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.699 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 135.17 56.59 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.712 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.42 -22.84 34.86 Favored Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 mm -98.76 120.02 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.013 -1.286 . . . . 0.0 108.695 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.42 178.2 38.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.5 -40.04 81.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -1.135 . . . . 0.0 109.982 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.63 -45.78 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.419 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.6 mt -65.87 -36.84 84.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 109.521 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.44 95.66 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.73 -39.91 95.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -1.099 . . . . 0.0 110.725 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -66.99 -48.92 66.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.637 -1.289 . . . . 0.0 110.181 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.42 -39.7 88.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.058 -1.026 . . . . 0.0 108.908 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.96 -45.77 91.58 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.814 -0.755 . . . . 0.0 109.955 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.76 -19.08 65.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.12 -0.988 . . . . 0.0 108.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 37' ' ' ARG . 30.2 mtt-85 -89.66 0.94 56.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 110.586 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.71 3.31 43.13 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.086 -1.009 . . . . 0.0 111.837 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.42 74.58 1.18 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.79 -1.418 . . . . 0.0 108.149 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -82.2 -9.98 59.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.79 . . . . 0.0 110.553 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.92 156.84 48.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.197 -0.939 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -60.87 -19.33 60.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.376 -1.453 . . . . 0.0 111.642 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.3 t -78.08 -32.69 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.357 -1.465 . . . . 0.0 107.379 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.9 -38.16 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 ' CE ' ' A' ' 15' ' ' MET . 46.9 tp -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.89 -40.4 96.78 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -41.12 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.017 -1.284 . . . . 0.0 108.711 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.99 -40.04 87.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.29 -38.74 81.98 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.92 -30.65 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.391 -0.818 . . . . 0.0 110.144 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.46 15.51 7.79 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.23 33.14 6.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.901 -1.125 . . . . 0.0 110.147 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 60.68 20.1 10.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.853 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -66.28 115.77 6.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.562 -1.337 . . . . 0.0 107.998 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.1 tt0 -66.79 -40.94 88.3 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.134 -0.979 . . . . 0.0 112.985 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.93 -40.03 79.25 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.69 -1.256 . . . . 0.0 109.628 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.95 -38.39 76.11 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.41 -47.18 83.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.481 -0.762 . . . . 0.0 109.819 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 99.0 mtt180 -59.96 -46.16 90.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.367 -0.833 . . . . 0.0 111.307 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.36 -36.47 83.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.594 -1.316 . . . . 0.0 108.931 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -63.66 -46.64 84.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.277 -0.889 . . . . 0.0 110.699 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.65 -47.64 68.97 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -59.98 -48.49 81.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 26.6 t0 -68.39 -31.8 71.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 0.0 109.717 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.2 m -75.49 -38.97 59.16 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.927 . . . . 0.0 111.824 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -133.47 -30.86 1.26 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.273 -1.517 . . . . 0.0 112.405 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.23 15.44 12.63 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.44 153.26 1.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.885 -1.362 . . . . 0.0 109.084 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.92 172.28 8.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.87 -1.144 . . . . 0.0 109.729 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.67 73.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.5 -39.96 70.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.921 -1.112 . . . . 0.0 109.625 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.75 -39.47 87.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.473 -0.767 . . . . 0.0 110.8 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 p -66.78 -38.57 86.8 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.063 -1.023 . . . . 0.0 109.969 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.01 -37.93 81.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.875 -1.141 . . . . 0.0 109.691 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -67.84 -38.82 83.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.642 -1.286 . . . . 0.0 110.608 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.822 -1.174 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.01 -59.68 5.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.627 -1.295 . . . . 0.0 110.128 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -59.99 -32.33 75.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.94 -50.87 45.51 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.201 -1.176 . . . . 0.0 109.694 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.89 -40.02 72.47 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.587 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.93 -40.83 94.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.042 -1.037 . . . . 0.0 110.386 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -69.99 -38.62 76.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.738 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.5 t90 -60.18 -46.29 90.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.358 -1.464 . . . . 0.0 108.405 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.04 -40.03 87.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.0 109.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.96 -35.2 74.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.401 -0.812 . . . . 0.0 110.394 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -34.95 18.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.968 -1.082 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.7 m-85 . . . . . 0 N--CA 1.497 1.906 0 O-C-N 121.28 -0.887 . . . . 0.0 110.194 -178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.93 -51.29 70.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.935 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.05 -31.9 69.75 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -72.63 -39.64 67.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -67.84 -39.95 83.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.306 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.3 m -83.06 17.86 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.45 -5.44 9.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.376 -0.828 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.69 150.05 22.36 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.786 -1.196 . . . . 0.0 109.744 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.01 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.243 1.962 . . . . 0.0 111.817 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.653 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.9 ptp -92.62 -20.8 20.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.045 -1.034 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.53 -139.94 30.2 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.75 32.5 4.09 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.437 -1.037 . . . . 0.0 109.888 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.43 149.84 75.7 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.972 -1.08 . . . . 0.0 109.291 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.41 156.85 64.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.574 2.183 . . . . 0.0 112.593 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.3 p -55.02 -41.7 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.473 -0.767 . . . . 0.0 110.37 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.3 -4.37 8.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -81.67 -21.17 38.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.735 -1.45 . . . . 0.0 109.276 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.49 141.04 58.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.245 -0.909 . . . . 0.0 109.684 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 135.16 56.54 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.663 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.39 -22.72 35.28 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -98.77 120.07 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.998 -1.295 . . . . 0.0 108.583 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 178.22 38.16 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.65 -39.9 81.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.337 -1.096 . . . . 0.0 110.024 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.63 -45.84 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 109.431 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.77 -36.89 84.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 109.529 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.41 95.59 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.68 -40.09 95.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.687 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -66.83 -48.97 67.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.624 -1.297 . . . . 0.0 110.175 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.56 -39.42 87.9 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.035 -1.041 . . . . 0.0 108.954 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.08 -45.9 91.36 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.836 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.62 -19.12 65.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 108.962 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' B' ' 37' ' ' ARG . 30.1 mtt-85 -89.47 0.74 56.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.166 -0.959 . . . . 0.0 110.667 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.87 3.37 42.58 Favored Glycine 0 N--CA 1.504 3.203 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.772 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -104.57 74.46 1.16 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.395 . . . . 0.0 108.125 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -81.98 -10.14 59.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.488 -0.757 . . . . 0.0 110.575 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.79 156.97 47.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.129 -0.982 . . . . 0.0 110.08 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.4 89.7 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -60.64 -19.62 58.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.358 -1.464 . . . . 0.0 111.655 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 51.0 t -78.08 -32.6 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.392 -1.442 . . . . 0.0 107.415 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.86 -38.23 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.653 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.8 tp -60.09 -39.08 84.87 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.88 -40.44 96.81 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -41.19 91.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.998 -1.295 . . . . 0.0 108.732 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.34 -38.66 81.72 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.01 -30.47 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 0.0 110.16 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.72 15.64 7.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.07 -1.019 . . . . 0.0 109.978 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.21 32.97 6.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.864 -1.147 . . . . 0.0 110.246 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 60.78 20.12 10.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.656 -0.653 . . . . 0.0 110.803 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.41 115.84 6.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.692 -1.255 . . . . 0.0 107.892 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.1 tt0 -66.84 -41.09 88.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.156 -0.965 . . . . 0.0 113.007 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.78 -39.94 79.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.811 -1.181 . . . . 0.0 109.671 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.97 -38.44 76.06 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.336 -0.946 . . . . 0.0 108.774 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.39 -47.08 83.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.449 -0.782 . . . . 0.0 109.894 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 99.0 mtt180 -60.03 -46.16 90.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 0.0 111.33 -178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.27 -36.66 84.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.695 -1.253 . . . . 0.0 108.922 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -63.54 -46.58 85.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 110.738 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.78 -47.57 68.8 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.094 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.08 -48.41 81.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 26.2 t0 -68.49 -31.66 71.1 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.691 -0.631 . . . . 0.0 109.676 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -75.47 -39.05 59.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.0 111.854 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.0 p -133.41 -31.0 1.25 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.393 -1.442 . . . . 0.0 112.322 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.15 15.63 12.45 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.63 153.31 1.21 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.937 -1.331 . . . . 0.0 109.048 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.79 172.25 9.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.802 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.92 73.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.498 -0.751 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.41 -39.91 70.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.943 -1.098 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.72 -39.58 88.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.443 -0.785 . . . . 0.0 110.765 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 11.2 p -66.68 -38.52 86.96 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.122 -0.986 . . . . 0.0 110.055 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -59.96 -37.94 81.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.05 -38.57 82.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.649 -1.282 . . . . 0.0 110.593 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.42 -40.02 85.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.852 -1.155 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.01 -59.52 5.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.587 -1.321 . . . . 0.0 110.075 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -60.09 -32.29 75.5 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.09 -50.85 44.54 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.225 -1.162 . . . . 0.0 109.605 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.84 -40.02 72.62 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.559 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -61.14 -40.77 95.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.0 -1.062 . . . . 0.0 110.31 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.0 -38.69 76.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 110.612 -179.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.0 t90 -60.2 -46.14 90.74 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.358 -1.464 . . . . 0.0 108.482 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.414 -0.804 . . . . 0.0 109.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.0 -35.15 74.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.476 -0.765 . . . . 0.0 110.425 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.13 18.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.071 -1.018 . . . . 0.0 110.263 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.0 m-85 -104.87 -85.81 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.33 -0.856 . . . . 0.0 110.288 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.971 -1.081 . . . . 0.0 109.124 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -59.59 -49.19 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.166 -0.959 . . . . 0.0 110.461 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -69.97 -31.73 69.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.953 -1.092 . . . . 0.0 109.772 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.92 -38.89 69.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -67.36 -39.95 85.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 110.211 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.76 16.78 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.326 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.68 -4.63 9.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.342 -0.849 . . . . 0.0 110.663 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.28 150.48 23.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.768 -1.207 . . . . 0.0 109.282 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -42.23 159.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.708 1.605 . . . . 0.0 111.472 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.39 -21.93 21.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.885 -1.134 . . . . 0.0 109.051 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.92 -137.38 27.89 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.39 33.57 4.25 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.653 -0.91 . . . . 0.0 110.272 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -60.02 150.01 71.71 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.108 -0.995 . . . . 0.0 109.045 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.2 152.42 81.3 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.216 1.944 . . . . 0.0 112.083 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.89 -40.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.535 -0.728 . . . . 0.0 110.419 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.52 -4.3 12.7 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -82.5 -22.66 34.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.792 -1.417 . . . . 0.0 109.2 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.19 139.2 58.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.967 . . . . 0.0 109.391 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 139.05 58.49 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.728 0.775 . . . . 0.0 110.208 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 94.04 -14.58 65.0 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.76 116.99 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.06 -1.259 . . . . 0.0 108.27 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 178.74 36.84 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.26 -39.87 80.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -1.012 . . . . 0.0 110.433 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.92 -47.39 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 120.834 -1.166 . . . . 0.0 109.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.94 -37.13 85.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.204 -0.935 . . . . 0.0 109.791 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.02 96.43 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.61 -39.83 95.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.29 -1.124 . . . . 0.0 110.589 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.29 -44.17 79.91 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.753 -1.217 . . . . 0.0 109.979 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.65 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.931 -1.105 . . . . 0.0 108.741 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -44.35 94.54 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.977 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.82 -19.37 65.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.227 -0.92 . . . . 0.0 108.813 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.92 -0.01 57.0 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.323 -0.861 . . . . 0.0 110.315 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.12 3.97 35.79 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.151 -0.968 . . . . 0.0 111.807 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -105.47 75.43 1.15 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.934 -1.333 . . . . 0.0 109.489 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -82.02 -13.15 57.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.06 151.39 50.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.393 -0.817 . . . . 0.0 109.469 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.74 94.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.617 -0.677 . . . . 0.0 111.275 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -60.0 -20.06 55.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.638 -1.289 . . . . 0.0 111.325 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.93 -32.54 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.476 -1.39 . . . . 0.0 107.313 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.41 -35.75 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -44.4 91.53 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.49 -43.81 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.903 -1.351 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.58 -39.38 81.0 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.0 -25.53 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.376 -0.828 . . . . 0.0 110.62 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.68 14.67 11.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.921 -1.112 . . . . 0.0 110.825 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.4 36.54 13.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.8 -1.188 . . . . 0.0 110.637 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 60.05 20.51 9.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.469 -0.769 . . . . 0.0 110.706 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -68.19 113.64 6.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.388 -1.445 . . . . 0.0 108.346 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.33 -40.66 93.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.545 -0.722 . . . . 0.0 112.906 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -39.33 75.9 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.701 -1.249 . . . . 0.0 109.899 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.81 -39.09 76.73 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.066 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.28 -46.92 84.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.055 -1.028 . . . . 0.0 109.772 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -60.01 -46.06 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.407 -0.808 . . . . 0.0 111.18 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.86 -38.13 89.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.76 -1.212 . . . . 0.0 108.641 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -61.46 -49.38 77.05 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.99 -48.69 65.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.996 -1.065 . . . . 0.0 110.141 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.47 -47.44 85.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.965 . . . . 0.0 109.588 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.39 -30.28 69.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.712 -0.617 . . . . 0.0 109.766 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -79.44 -33.61 42.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -0.929 . . . . 0.0 111.159 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.98 -29.72 1.43 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.556 -1.34 . . . . 0.0 112.382 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.02 15.54 16.02 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.84 154.16 2.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.123 -1.222 . . . . 0.0 109.271 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -90.88 171.8 9.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.024 -1.047 . . . . 0.0 110.024 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.77 72.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.614 -0.679 . . . . 0.0 110.939 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 9.3 mtpm? -72.08 -40.2 68.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 0.0 110.439 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.5 mm100 -68.59 -36.69 79.04 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 110.625 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 -38.07 81.22 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 110.034 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.83 -37.57 82.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.868 -1.145 . . . . 0.0 110.046 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -67.93 -39.88 83.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.586 -1.321 . . . . 0.0 110.762 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.39 -39.95 77.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.893 -1.129 . . . . 0.0 110.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.34 -59.93 4.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.701 -1.249 . . . . 0.0 110.142 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.38 -32.46 77.33 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -68.6 -49.17 61.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -1.179 . . . . 0.0 109.823 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.04 -40.0 75.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.546 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -60.69 -40.16 91.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.105 -0.997 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.12 -37.72 75.4 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.196 -0.94 . . . . 0.0 110.942 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 90.8 t90 -62.33 -43.73 98.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.341 -1.474 . . . . 0.0 109.104 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.23 -40.08 88.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 109.844 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.96 -30.47 67.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.37 -33.58 13.81 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.166 -0.959 . . . . 0.0 111.086 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.7 m-85 . . . . . 0 N--CA 1.503 2.214 0 O-C-N 121.293 -0.88 . . . . 0.0 111.875 -177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.435 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.7 t60 -59.48 -49.15 78.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.091 -1.006 . . . . 0.0 110.511 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.404 HH11 ' HG3' ' B' ' 8' ' ' ARG . 24.1 mmm-85 -70.04 -31.71 69.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.977 -1.077 . . . . 0.0 109.802 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.79 -39.24 70.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.347 -0.846 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.07 -39.98 86.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.414 -0.804 . . . . 0.0 110.256 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.78 17.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.951 . . . . 0.0 110.277 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -4.89 9.68 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.792 . . . . 0.0 110.734 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.13 150.51 24.1 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 120.75 -1.219 . . . . 0.0 109.295 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.26 159.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.67 1.58 . . . . 0.0 111.517 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.54 -21.42 21.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.886 -1.133 . . . . 0.0 109.113 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 -137.4 24.79 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.1 33.54 4.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.573 -0.957 . . . . 0.0 110.28 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -60.07 150.01 72.18 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.039 -1.038 . . . . 0.0 109.083 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.07 152.47 80.86 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.259 1.972 . . . . 0.0 112.073 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.93 -40.46 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.554 -0.716 . . . . 0.0 110.416 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 -3.93 11.51 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.8 t -82.87 -22.77 33.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.784 -1.421 . . . . 0.0 109.147 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.12 139.06 58.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.928 . . . . 0.0 109.375 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 138.96 58.49 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.79 0.805 . . . . 0.0 110.305 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 94.14 -14.41 65.37 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.1 mm -101.85 117.13 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.153 -1.204 . . . . 0.0 108.218 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.72 178.57 36.55 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.15 -40.02 80.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -1.009 . . . . 0.0 110.367 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.7 -47.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.908 -1.12 . . . . 0.0 109.832 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.76 -37.23 85.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.712 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.99 96.38 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.51 -40.08 96.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.245 -1.15 . . . . 0.0 110.501 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.609 -1.307 . . . . 0.0 110.029 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.67 -39.76 95.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.022 -1.049 . . . . 0.0 108.835 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -44.39 94.61 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.953 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -65.81 -19.37 65.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 108.776 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.9 0.14 56.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.418 -0.801 . . . . 0.0 110.31 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 4.15 36.28 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 121.038 -1.039 . . . . 0.0 111.823 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.78 75.64 1.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.829 -1.394 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -82.33 -12.98 57.63 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.781 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.03 151.55 50.45 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.333 -0.854 . . . . 0.0 109.487 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.51 93.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.639 -0.663 . . . . 0.0 111.302 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -60.0 -20.63 58.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.662 -1.274 . . . . 0.0 111.319 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -78.57 -32.47 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.441 -1.412 . . . . 0.0 107.228 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.5 -35.71 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.91 -39.61 86.0 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.14 -44.92 88.63 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.16 -43.76 95.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.962 -1.317 . . . . 0.0 109.245 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -39.86 81.17 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.61 -25.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.385 -0.822 . . . . 0.0 110.648 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.0 15.16 10.53 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.919 -1.113 . . . . 0.0 110.718 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.03 36.59 12.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.807 -1.183 . . . . 0.0 110.672 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.01 20.07 9.18 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.508 -0.745 . . . . 0.0 110.682 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.76 113.8 5.83 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.375 -1.453 . . . . 0.0 108.252 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.41 -41.09 93.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.584 -0.697 . . . . 0.0 112.823 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.67 -39.26 77.11 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.576 -1.327 . . . . 0.0 109.889 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.87 -38.85 76.54 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.086 -1.045 . . . . 0.0 109.156 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.56 -46.85 84.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.084 -1.01 . . . . 0.0 109.813 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -59.95 -46.7 88.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.0 111.053 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.37 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.75 -1.219 . . . . 0.0 108.771 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.4 t90 -61.66 -49.13 77.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.373 -0.829 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.14 -49.06 63.47 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.045 -1.034 . . . . 0.0 110.078 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.15 -47.43 86.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 0.0 109.593 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.31 -30.46 69.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -79.29 -33.63 43.13 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.16 -0.963 . . . . 0.0 111.224 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.88 -30.14 1.41 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.685 -1.259 . . . . 0.0 112.272 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.32 15.88 14.69 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.19 154.29 2.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -1.202 . . . . 0.0 109.256 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -90.93 171.62 9.17 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.4 71.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.593 -0.692 . . . . 0.0 110.88 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -72.26 -40.23 67.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.527 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.6 mm100 -68.71 -36.4 78.4 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.309 -0.869 . . . . 0.0 110.629 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 53.8 p -68.58 -37.75 80.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.172 -0.955 . . . . 0.0 110.013 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.1 -37.29 82.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.869 -1.144 . . . . 0.0 110.095 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.17 -39.94 82.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.444 -1.41 . . . . 0.0 110.571 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.31 -40.13 77.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.781 -1.199 . . . . 0.0 110.489 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.2 -59.88 4.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.34 77.9 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.58 -49.2 61.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -1.191 . . . . 0.0 109.817 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.99 -39.96 75.6 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.612 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.84 -40.04 91.36 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.18 -0.95 . . . . 0.0 110.214 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.435 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.9 mt-10 -70.29 -37.73 74.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 110.877 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.627 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 90.7 t90 -62.33 -43.73 98.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.411 -1.431 . . . . 0.0 109.103 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' B' ' 89' ' ' LEU . 64.5 m -60.36 -39.91 88.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.822 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.07 -30.12 67.83 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.68 -33.77 13.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.151 -0.968 . . . . 0.0 110.973 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.7 m-85 -109.64 0.02 18.85 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.254 -0.903 . . . . 0.0 111.846 -177.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.497 1.912 0 O-C-N 120.9 -1.125 . . . . 0.0 109.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 120.957 0.408 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.02 -50.33 74.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.909 -1.119 . . . . 0.0 110.504 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 8' ' ' ARG . 32.8 mtt-85 -70.1 -34.7 73.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.92 -39.9 72.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.456 -0.777 . . . . 0.0 110.332 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 -40.0 83.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.379 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.5 m -83.77 15.96 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.03 -1.044 . . . . 0.0 109.989 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.98 -8.38 10.24 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.432 -0.793 . . . . 0.0 111.248 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.25 28.21 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.597 -1.315 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.71 161.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.044 1.829 . . . . 0.0 112.039 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.47 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.93 -22.16 21.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.189 -0.944 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.6 -142.03 12.31 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.39 29.47 5.18 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -1.05 . . . . 0.0 110.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -62.08 149.6 85.96 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 120.873 -1.142 . . . . 0.0 108.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.42 159.96 51.66 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.489 2.126 . . . . 0.0 112.898 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -55.4 -48.27 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.38 0.609 . . . . 0.0 111.154 -179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.12 -3.84 0.15 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 20' ' ' VAL . 19.3 m -83.28 -22.64 32.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.833 -1.392 . . . . 0.0 109.373 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 81' ' ' LEU . 94.5 mt -63.59 139.33 58.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 109.29 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 134.88 55.58 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.639 0.733 . . . . 0.0 110.189 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.23 -18.27 56.79 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -95.93 116.47 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.032 -1.275 . . . . 0.0 108.234 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.46 170.64 39.03 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 45.9 mp0 -57.04 -40.04 76.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.271 -1.135 . . . . 0.0 110.377 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.17 -41.35 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.836 -1.165 . . . . 0.0 109.618 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.72 -37.25 81.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.745 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.75 94.68 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.54 -39.22 92.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -1.069 . . . . 0.0 110.36 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.86 -44.56 76.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.742 -1.224 . . . . 0.0 109.943 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.0 -38.58 91.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.746 -1.221 . . . . 0.0 108.571 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.891 -0.723 . . . . 0.0 109.255 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.94 -18.82 64.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 108.716 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.51 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 7.1 51.11 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 121.063 -1.023 . . . . 0.0 112.157 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 44' ' ' VAL . 93.3 m-85 -106.57 75.52 1.07 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 119.149 1.474 . . . . 0.0 108.941 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -80.51 -9.03 59.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.524 -0.735 . . . . 0.0 111.112 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -137.63 159.87 40.77 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.997 -1.065 . . . . 0.0 109.983 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.01 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.671 . . . . 0.0 112.763 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -60.18 -19.13 52.66 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.402 -1.436 . . . . 0.0 111.244 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 39' ' ' PHE . 21.8 t -78.77 -33.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.08 -40.03 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.47 HD22 ' CE ' ' A' ' 15' ' ' MET . 58.9 tp -60.08 -38.81 83.97 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.07 79.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -59.97 -41.95 93.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.048 -1.266 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.383 -0.823 . . . . 0.0 108.839 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.34 -37.87 86.35 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.42 -26.67 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -0.904 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -90.05 13.55 14.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.025 -1.047 . . . . 0.0 110.838 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 47.67 39.89 10.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.695 -1.253 . . . . 0.0 110.717 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 59.86 19.99 8.9 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.454 -0.779 . . . . 0.0 110.134 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.6 113.31 5.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.618 -1.301 . . . . 0.0 108.301 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.47 -42.4 98.6 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.08 -39.0 75.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.469 -1.395 . . . . 0.0 110.846 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.02 -39.92 78.97 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.016 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.35 -44.47 91.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.0 -48.3 82.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 0.0 111.185 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -65.11 -37.96 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.685 -1.259 . . . . 0.0 109.494 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.28 -49.81 75.53 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.005 -1.06 . . . . 0.0 110.978 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.7 -48.04 67.67 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.138 -0.976 . . . . 0.0 110.297 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' GLY . 60.5 tttm -62.67 -47.5 83.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.945 . . . . 0.0 109.349 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.11 -31.71 71.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.742 -0.599 . . . . 0.0 109.621 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 64.3 m -79.31 -33.84 42.85 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 110.958 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -131.39 -28.3 1.89 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.641 -1.287 . . . . 0.0 112.17 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 106.77 15.19 17.43 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.48 152.61 1.84 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.273 . . . . 0.0 109.863 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -91.63 172.45 8.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.861 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.28 77.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 110.768 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 88.4 tttt -70.48 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.964 -1.085 . . . . 0.0 110.091 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.75 -37.45 82.15 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.368 -0.833 . . . . 0.0 110.658 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 p -67.58 -38.33 83.9 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.134 -0.979 . . . . 0.0 110.093 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.3 mtm180 -60.97 -38.44 85.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.831 -1.168 . . . . 0.0 110.209 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.0 -39.99 83.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.542 -1.349 . . . . 0.0 110.668 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.4 m -68.42 -40.09 81.35 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.828 -1.17 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.51 -60.03 4.45 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.452 -1.405 . . . . 0.0 109.847 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.09 85.2 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.287 -0.958 . . . . 0.0 110.964 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.83 -48.26 59.63 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.924 -1.339 . . . . 0.0 110.098 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -69.62 -39.58 77.08 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.823 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.36 -40.1 89.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.98 -39.46 75.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.148 -0.97 . . . . 0.0 111.226 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -61.98 -41.6 98.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.451 -1.406 . . . . 0.0 109.066 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.1 m -61.46 -39.97 92.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.054 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.04 -29.03 68.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.19 -35.98 14.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.073 -1.017 . . . . 0.0 111.085 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 . . . . . 0 N--CA 1.503 2.175 0 O-C-N 121.382 -0.824 . . . . 0.0 111.817 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 120.88 0.371 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . 0.42 ' O ' HG22 ' B' ' 11' ' ' VAL . 79.0 t60 -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.915 -1.115 . . . . 0.0 110.484 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' B' ' 8' ' ' ARG . 33.0 mtt-85 -70.02 -34.41 73.25 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.126 -0.984 . . . . 0.0 109.978 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.97 -39.97 72.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.88 -39.98 83.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.909 . . . . 0.0 110.37 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 7' ' ' HIS . 19.5 m -83.83 15.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.077 -1.014 . . . . 0.0 110.004 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.01 -8.28 10.25 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.33 -0.856 . . . . 0.0 111.21 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.33 28.36 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.555 -1.341 . . . . 0.0 110.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.76 161.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.994 1.796 . . . . 0.0 112.079 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.474 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.05 21.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.224 -0.922 . . . . 0.0 109.635 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.35 -141.9 11.44 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.31 29.45 5.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.399 -1.059 . . . . 0.0 110.747 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -62.1 149.4 86.61 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 108.885 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.33 159.98 51.6 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.471 2.114 . . . . 0.0 112.862 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.0 p -55.38 -48.3 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.682 -0.636 . . . . 0.0 111.07 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . 0.544 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.11 -3.85 0.15 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' VAL . 19.3 m -83.23 -22.81 33.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.825 -1.397 . . . . 0.0 109.342 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.51 139.27 58.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.94 . . . . 0.0 109.352 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.27 134.77 55.36 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.701 0.763 . . . . 0.0 110.21 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 -17.98 57.08 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.24 116.44 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.049 -1.265 . . . . 0.0 108.225 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.44 170.51 38.9 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 45.8 mp0 -57.1 -39.9 75.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -1.094 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.3 -41.43 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.854 -1.154 . . . . 0.0 109.677 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.43 -37.43 83.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.813 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.55 94.45 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.64 -39.09 92.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.409 -1.053 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.82 -44.72 76.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.696 -1.252 . . . . 0.0 109.948 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.95 -38.73 92.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.91 -1.119 . . . . 0.0 108.536 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -40.0 86.94 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.317 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.99 -18.82 64.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.52 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.536 -0.728 . . . . 0.0 109.78 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.99 6.99 51.27 Favored Glycine 0 N--CA 1.502 3.054 0 O-C-N 121.016 -1.052 . . . . 0.0 112.158 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' B' ' 44' ' ' VAL . 93.1 m-85 -106.6 75.56 1.07 Allowed 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 119.219 1.509 . . . . 0.0 108.898 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -80.41 -8.98 59.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.603 -0.685 . . . . 0.0 111.083 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -137.56 159.85 40.81 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.038 -1.039 . . . . 0.0 110.026 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.0 91.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.654 -0.654 . . . . 0.0 112.647 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.09 -19.31 52.65 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.251 -1.531 . . . . 0.0 111.185 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' B' ' 39' ' ' PHE . 21.7 t -78.62 -33.28 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.434 -1.416 . . . . 0.0 107.279 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.96 -40.0 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.474 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.04 -38.75 83.65 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.82 81.52 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.138 -1.213 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.87 -40.1 87.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.378 -0.826 . . . . 0.0 108.951 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.31 -37.75 86.12 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.5 -26.72 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.196 -0.94 . . . . 0.0 110.228 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.07 13.78 14.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.08 -1.012 . . . . 0.0 110.784 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 47.48 39.96 10.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.701 -1.249 . . . . 0.0 110.606 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 59.88 19.93 8.88 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.416 -0.802 . . . . 0.0 110.204 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.69 113.73 6.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.464 -1.398 . . . . 0.0 108.24 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.77 -42.51 97.76 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.99 -38.91 76.14 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.532 -1.355 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.0 -39.96 79.0 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.961 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.44 -44.37 91.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.971 -1.081 . . . . 0.0 109.745 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 111.056 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.7 OUTLIER -65.0 -37.95 89.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.668 -1.27 . . . . 0.0 109.562 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' TRP . . . . . 0.417 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.15 -49.85 75.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.03 -1.044 . . . . 0.0 110.954 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.78 -48.08 67.36 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.316 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' GLY . 60.6 tttm -62.6 -47.53 83.39 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.03 -31.97 72.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.724 -0.61 . . . . 0.0 109.572 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 65.0 m -78.96 -33.76 44.95 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.331 -0.855 . . . . 0.0 111.009 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -131.56 -28.48 1.84 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.631 -1.293 . . . . 0.0 112.177 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 106.92 15.3 16.84 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.36 152.8 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.091 -1.24 . . . . 0.0 109.842 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.78 172.75 8.26 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.197 -0.939 . . . . 0.0 109.953 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.24 77.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.79 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.453 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 88.5 tttt -70.63 -41.37 72.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.952 -1.093 . . . . 0.0 110.1 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.68 -37.49 82.42 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.359 -0.838 . . . . 0.0 110.609 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 10.1 p -67.53 -38.29 83.99 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.126 -0.984 . . . . 0.0 110.124 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.3 mtm180 -61.11 -38.34 85.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.851 -1.155 . . . . 0.0 110.209 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.02 83.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.674 -1.266 . . . . 0.0 110.73 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.54 -40.02 80.87 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -58.48 -59.93 4.59 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.588 -1.32 . . . . 0.0 109.897 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.12 85.46 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.82 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.69 -48.39 59.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.89 -1.359 . . . . 0.0 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.71 -39.38 76.91 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.773 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.51 -40.11 90.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.98 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 111.217 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TRP . . . . . 0.608 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.7 t90 -62.09 -41.47 98.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.481 -1.387 . . . . 0.0 109.099 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 89' ' ' LEU . 67.1 m -61.52 -39.92 92.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.108 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.97 -29.22 68.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.22 -35.92 14.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.037 -1.04 . . . . 0.0 111.076 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.608 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.1 m-85 -112.11 0.76 16.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.286 -0.884 . . . . 0.0 111.843 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 85' ' ' CYS . 47.7 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 120.612 -1.305 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.365 0.602 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -92.29 5.2 51.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.402 -0.811 . . . . 0.0 109.455 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -70.04 159.88 33.01 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.108 -0.995 . . . . 0.0 109.919 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.0 m -69.57 154.33 42.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.49 -22.0 29.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.745 -0.597 . . . . 0.0 109.822 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.88 -37.04 83.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.02 -1.05 . . . . 0.0 109.703 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.525 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 63.7 t60 -57.57 -48.89 78.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 110.024 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -70.07 -33.58 72.1 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.235 -0.915 . . . . 0.0 110.38 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.93 -38.71 69.79 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.315 -0.866 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -67.44 -40.05 85.43 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.161 -0.962 . . . . 0.0 110.221 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.7 m -84.6 15.48 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.199 -0.938 . . . . 0.0 109.938 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.16 -7.14 10.36 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.423 -0.798 . . . . 0.0 110.711 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -154.08 152.81 27.41 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 120.807 -1.183 . . . . 0.0 109.521 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -41.99 157.83 0.06 OUTLIER 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.916 1.744 . . . . 0.0 111.614 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.681 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.7 ptp -91.49 -20.14 22.06 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.103 -0.998 . . . . 0.0 109.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.48 -138.12 18.76 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.29 30.04 6.59 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.464 -1.021 . . . . 0.0 110.862 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -60.59 150.29 75.38 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.79 -1.194 . . . . 0.0 108.658 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -63.73 152.93 78.27 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.286 1.991 . . . . 0.0 112.773 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -52.95 -46.65 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.5 0.667 . . . . 0.0 110.39 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.56 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.89 -1.73 0.27 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 20' ' ' VAL . 30.6 t -82.62 -23.61 34.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.319 . . . . 0.0 109.211 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.29 139.85 58.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.319 -0.863 . . . . 0.0 109.401 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 136.24 57.28 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.616 0.722 . . . . 0.0 109.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 -20.2 49.37 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.21 120.26 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.062 -1.258 . . . . 0.0 108.251 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -90.48 175.22 40.61 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.85 -40.03 79.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.424 -1.045 . . . . 0.0 110.459 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.11 -45.37 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.058 -1.026 . . . . 0.0 109.717 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD12 ' H ' ' A' ' 27' ' ' GLY . 67.8 mt -65.46 -36.11 82.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.442 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 -39.36 95.65 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.3 -39.95 94.96 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.305 -1.115 . . . . 0.0 111.231 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.85 -44.61 84.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.642 -1.286 . . . . 0.0 109.609 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.93 -39.54 92.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.94 . . . . 0.0 109.452 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -39.99 87.48 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.291 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.73 -19.73 65.17 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.276 -0.89 . . . . 0.0 108.93 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 37' ' ' ARG . 48.1 mtt-85 -90.32 2.25 55.7 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.571 -0.706 . . . . 0.0 110.901 -179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.04 4.47 44.77 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.965 -1.084 . . . . 0.0 111.791 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.05 73.51 1.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.927 -1.337 . . . . 0.0 108.207 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -81.57 -12.56 58.73 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.56 -0.713 . . . . 0.0 110.167 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.3 150.96 50.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.433 -0.792 . . . . 0.0 109.17 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.02 94.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.618 -0.676 . . . . 0.0 111.422 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -58.46 -19.34 36.01 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.691 -1.256 . . . . 0.0 111.563 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.04 -31.74 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.416 -1.427 . . . . 0.0 107.529 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -77.4 -34.14 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.681 HD22 ' CE ' ' A' ' 15' ' ' MET . 31.2 tp -60.03 -39.1 84.73 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 178.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.58 -40.97 97.05 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.0 -40.32 88.78 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.369 . . . . 0.0 108.974 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.89 -39.51 83.62 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.64 -29.18 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.302 -0.874 . . . . 0.0 110.549 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.96 15.78 9.4 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.14 -0.975 . . . . 0.0 110.367 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.41 35.05 5.25 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.767 -1.208 . . . . 0.0 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 60.99 20.0 10.41 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.745 -0.597 . . . . 0.0 111.568 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -67.34 118.34 10.56 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.273 -1.517 . . . . 0.0 108.128 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -64.28 -40.65 96.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.423 -0.798 . . . . 0.0 112.902 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.541 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 92.0 m-20 -69.91 -40.2 75.74 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.655 -1.278 . . . . 0.0 110.4 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.57 -39.99 73.59 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.215 -0.994 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.78 -49.31 71.21 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.44 -0.787 . . . . 0.0 110.352 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.541 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 81.7 mtm180 -61.19 -43.88 98.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.0 -1.063 . . . . 0.0 110.9 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -65.03 -34.02 77.44 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.63 -1.294 . . . . 0.0 108.956 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.41 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.67 -48.19 81.95 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.309 -0.869 . . . . 0.0 110.501 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.53 -50.33 52.8 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.232 -0.917 . . . . 0.0 110.55 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.25 -48.39 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.16 -0.963 . . . . 0.0 110.066 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -69.41 -26.83 64.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.41 -0.806 . . . . 0.0 109.587 -179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 26.3 m -80.16 -33.23 38.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 111.242 -178.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -133.01 -25.22 1.83 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.556 -1.34 . . . . 0.0 112.411 -177.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.85 14.21 23.64 Favored Glycine 0 N--CA 1.499 2.898 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.48 152.73 2.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 109.476 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.7 169.07 12.43 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.966 -1.084 . . . . 0.0 110.019 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.7 70.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.492 -0.755 . . . . 0.0 110.556 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -40.03 67.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.975 -1.078 . . . . 0.0 109.295 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.64 -37.07 84.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.559 -0.713 . . . . 0.0 110.505 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.37 -38.29 87.23 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.162 -0.961 . . . . 0.0 109.786 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -61.14 -37.88 84.4 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.012 -1.055 . . . . 0.0 110.278 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.57 -39.99 80.76 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.495 -1.378 . . . . 0.0 110.738 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.95 -40.04 79.19 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.856 -1.153 . . . . 0.0 110.008 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.36 -59.36 5.53 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.605 -1.309 . . . . 0.0 110.076 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.16 -33.22 78.93 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.66 -48.14 67.52 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.057 -1.261 . . . . 0.0 109.13 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.04 -40.01 75.38 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 118.986 -1.086 . . . . 0.0 109.495 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -63.56 -40.71 97.68 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.036 -1.04 . . . . 0.0 110.307 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.525 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 97.5 mt-10 -69.85 -38.74 76.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.05 -1.031 . . . . 0.0 110.141 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.4 t90 -60.7 -44.6 96.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.668 -1.27 . . . . 0.0 108.655 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.75 -40.04 90.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.602 -0.686 . . . . 0.0 109.286 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.23 -32.57 70.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.532 -0.73 . . . . 0.0 109.693 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.52 -35.79 17.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.198 -0.938 . . . . 0.0 110.486 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.0 m-85 -106.43 -86.19 0.49 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.313 -0.867 . . . . 0.0 110.075 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.49 1.552 0 O-C-N 120.935 -1.103 . . . . 0.0 108.72 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.6 mmt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.312 0.577 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -92.15 5.09 51.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.434 -0.791 . . . . 0.0 109.506 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 68.4 p -69.94 159.98 32.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.084 -1.01 . . . . 0.0 110.045 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.4 m -69.58 154.28 42.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -0.807 . . . . 0.0 109.21 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.45 -22.02 29.38 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.688 -0.632 . . . . 0.0 109.758 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.77 -37.14 83.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.035 -1.041 . . . . 0.0 109.728 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.511 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 63.5 t60 -57.55 -48.94 77.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.994 -1.066 . . . . 0.0 109.979 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -70.03 -33.56 72.13 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.232 -0.917 . . . . 0.0 110.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -71.97 -38.43 69.74 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.373 -0.829 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -67.78 -40.0 84.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.109 -0.994 . . . . 0.0 110.219 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.34 15.1 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.952 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.92 -7.09 10.48 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.435 -0.79 . . . . 0.0 110.747 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -154.13 152.81 27.33 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.736 -1.227 . . . . 0.0 109.479 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -42.1 157.96 0.06 OUTLIER 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.839 1.693 . . . . 0.0 111.611 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.665 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.3 ptp -91.52 -20.36 21.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.104 -0.998 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.03 -137.99 22.03 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -107.55 29.9 6.77 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.54 -0.976 . . . . 0.0 110.823 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.44 150.1 74.85 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 120.848 -1.157 . . . . 0.0 108.629 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -63.57 152.96 77.79 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.296 1.997 . . . . 0.0 112.873 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.557 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.6 p -52.99 -46.62 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-O 121.528 0.68 . . . . 0.0 110.396 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.557 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.89 -2.04 0.31 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 20' ' ' VAL . 30.3 t -82.27 -23.65 35.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.946 -1.326 . . . . 0.0 109.128 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -63.34 139.87 58.81 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.89 . . . . 0.0 109.407 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 136.52 57.55 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.652 0.739 . . . . 0.0 109.887 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.17 -20.25 49.58 Favored Glycine 0 N--CA 1.498 2.833 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -99.14 120.15 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 121.083 -1.245 . . . . 0.0 108.33 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.506 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -90.39 175.35 40.87 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.92 -39.99 79.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.521 -0.988 . . . . 0.0 110.423 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.25 -45.19 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.96 -1.088 . . . . 0.0 109.756 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.506 HD12 ' H ' ' B' ' 27' ' ' GLY . 68.3 mt -65.61 -36.04 82.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.0 109.376 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.57 95.89 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -64.11 -40.06 95.38 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.286 -1.126 . . . . 0.0 111.138 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.88 -44.57 84.93 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.612 -1.305 . . . . 0.0 109.658 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.04 -39.5 92.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.15 -0.969 . . . . 0.0 109.395 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.98 -40.0 87.65 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 119.298 -0.961 . . . . 0.0 109.176 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.59 -19.73 65.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.332 -0.855 . . . . 0.0 108.982 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' B' ' 37' ' ' ARG . 48.1 mtt-85 -90.34 1.89 56.1 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.383 -0.823 . . . . 0.0 110.83 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.4 4.41 43.66 Favored Glycine 0 N--CA 1.504 3.174 0 O-C-N 121.079 -1.013 . . . . 0.0 111.806 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.82 73.28 1.16 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.859 -1.377 . . . . 0.0 108.242 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -81.3 -12.81 58.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.524 -0.735 . . . . 0.0 110.045 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -129.11 150.84 50.34 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.469 -0.769 . . . . 0.0 109.252 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.01 94.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 111.449 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -58.4 -19.05 32.74 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.727 -1.233 . . . . 0.0 111.543 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.6 t -78.25 -31.8 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.423 -1.423 . . . . 0.0 107.552 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 92.6 t -77.38 -34.13 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.665 HD22 ' CE ' ' B' ' 15' ' ' MET . 31.1 tp -59.97 -38.84 83.67 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.68 97.24 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.04 -40.39 89.22 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.949 -1.324 . . . . 0.0 108.935 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -39.19 83.03 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -63.83 -29.47 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.362 -0.836 . . . . 0.0 110.472 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -89.63 15.44 9.52 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.055 -1.028 . . . . 0.0 110.412 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 48.79 34.99 5.76 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.789 -1.194 . . . . 0.0 110.04 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 85.5 mttt 60.89 20.39 10.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.684 -0.635 . . . . 0.0 111.617 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -67.71 118.23 10.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.333 -1.479 . . . . 0.0 108.079 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -64.35 -40.29 95.57 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.39 -0.819 . . . . 0.0 112.925 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.553 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 91.9 m-20 -70.02 -40.29 75.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.627 -1.296 . . . . 0.0 110.46 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.59 -40.01 73.5 Favored 'General case' 0 C--N 1.292 -1.918 0 C-N-CA 119.178 -1.009 . . . . 0.0 109.148 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.6 -49.44 71.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.553 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.0 mtm180 -61.26 -43.41 98.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.049 -1.032 . . . . 0.0 111.043 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.3 -34.18 77.73 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.581 -1.325 . . . . 0.0 108.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.4 -48.48 81.03 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.248 -0.907 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.9 tp -68.34 -50.29 54.29 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 110.538 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -60.18 -48.62 80.95 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.0 110.123 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.28 -26.82 64.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.331 -0.855 . . . . 0.0 109.607 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -80.12 -33.44 38.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.214 -0.929 . . . . 0.0 111.168 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -132.96 -24.88 1.87 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.65 -1.281 . . . . 0.0 112.535 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.63 13.95 24.72 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 152.64 2.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.167 -1.196 . . . . 0.0 109.416 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -87.67 168.88 12.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.939 -1.101 . . . . 0.0 109.963 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -31.85 70.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.528 -0.733 . . . . 0.0 110.568 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.53 -39.96 67.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.47 -37.36 84.96 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.508 -0.745 . . . . 0.0 110.486 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -66.13 -38.58 88.5 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.17 -0.956 . . . . 0.0 109.784 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -60.82 -38.09 84.23 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.986 -1.071 . . . . 0.0 110.244 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -68.39 -40.01 81.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.557 -1.339 . . . . 0.0 110.687 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.9 m -69.01 -39.98 78.97 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.837 -1.164 . . . . 0.0 110.088 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.33 -59.56 5.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.67 -1.269 . . . . 0.0 110.069 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.19 78.2 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.65 -48.14 67.55 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.948 -1.325 . . . . 0.0 109.171 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.08 -40.09 75.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.0 -1.08 . . . . 0.0 109.467 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -63.45 -40.75 97.97 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.963 -1.086 . . . . 0.0 110.341 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.511 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 97.4 mt-10 -69.74 -38.86 77.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.987 -1.07 . . . . 0.0 110.182 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.594 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -60.5 -44.86 95.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.676 -1.265 . . . . 0.0 108.65 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.58 -40.07 90.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.58 -0.7 . . . . 0.0 109.314 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.18 -32.72 70.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.427 -0.796 . . . . 0.0 109.596 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.38 -35.65 18.22 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.181 -0.95 . . . . 0.0 110.499 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.594 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 90.8 m-85 -106.54 -86.09 0.49 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.304 -0.873 . . . . 0.0 110.226 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.492 1.631 0 O-C-N 120.955 -1.09 . . . . 0.0 108.722 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.7 m -80.59 134.89 35.97 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -75.59 160.14 30.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -0.815 . . . . 0.0 109.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.5 p -70.01 160.06 32.65 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.393 -0.817 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' H ' ' CD ' ' A' ' 5' ' ' GLN . 27.6 mp0 -60.65 -24.54 65.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.701 -0.625 . . . . 0.0 110.547 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -61.61 -37.72 84.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.837 -1.164 . . . . 0.0 110.102 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.68 -50.43 73.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.999 -1.063 . . . . 0.0 110.464 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -32.81 71.18 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.044 -1.035 . . . . 0.0 110.104 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -72.23 -36.99 69.26 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.449 -0.782 . . . . 0.0 110.098 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.89 -40.87 78.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 110.589 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.38 16.51 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.081 -1.012 . . . . 0.0 109.943 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.36 -4.67 9.39 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.546 -0.721 . . . . 0.0 110.17 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.08 150.69 28.01 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 120.885 -1.134 . . . . 0.0 109.807 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.53 164.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.185 1.924 . . . . 0.0 111.984 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.44 ' HB3' ' HE2' ' A' ' 15' ' ' MET . 13.6 ptp -91.44 -19.16 23.15 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.033 -1.042 . . . . 0.0 109.773 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.49 -141.58 5.8 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.01 26.1 10.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.496 -1.002 . . . . 0.0 110.069 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' H ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -61.34 150.15 80.93 Favored Pre-proline 0 C--N 1.303 -1.452 0 O-C-N 120.92 -1.113 . . . . 0.0 108.18 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -62.32 153.28 71.41 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.59 2.193 . . . . 0.0 113.027 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 21' ' ' GLY . 8.1 p -53.97 -46.16 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 CA-C-O 121.517 0.675 . . . . 0.0 110.244 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.97 -2.49 0.37 Allowed Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 20' ' ' VAL . 78.8 p -81.14 -24.45 37.62 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.914 -1.344 . . . . 0.0 109.093 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.38 138.38 58.43 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.791 0.805 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -65.31 134.91 54.6 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.424 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.544 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 100.9 -17.5 56.22 Favored Glycine 0 N--CA 1.498 2.792 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.2 mm -100.1 118.9 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 174.07 35.24 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.21 -39.98 84.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.477 -1.013 . . . . 0.0 110.314 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.1 t -69.25 -44.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.821 -1.175 . . . . 0.0 109.198 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.23 -39.88 86.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.094 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -40.1 96.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.24 -39.26 92.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.245 -1.15 . . . . 0.0 110.968 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.01 -41.58 90.82 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.603 -1.31 . . . . 0.0 110.298 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.98 -40.02 91.83 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.068 -1.02 . . . . 0.0 109.483 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.8 -40.1 91.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.502 -0.879 . . . . 0.0 109.846 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.53 -20.02 63.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -88.68 -0.06 56.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.644 -0.66 . . . . 0.0 109.872 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.96 38.67 3.54 Favored Glycine 0 N--CA 1.499 2.881 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.76 72.08 1.48 Allowed 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -79.48 -15.04 58.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.427 -0.796 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 67.5 mmtt -131.74 152.26 51.05 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.047 -1.033 . . . . 0.0 110.03 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.27 99.2 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.581 -0.699 . . . . 0.0 111.748 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 26.9 p90 -58.75 -18.59 32.95 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.731 -1.23 . . . . 0.0 111.357 -177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.0 t -77.61 -31.32 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.59 -1.318 . . . . 0.0 107.932 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.6 t -77.26 -34.71 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD22 ' CE ' ' A' ' 15' ' ' MET . 40.5 tp -59.99 -40.06 87.84 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.46 98.2 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.31 -43.51 96.27 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.059 -1.259 . . . . 0.0 109.022 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 50' ' ' LEU . 92.8 mt -68.4 -37.66 80.55 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.83 -29.41 47.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.411 -0.806 . . . . 0.0 110.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.45 14.28 10.06 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.155 -0.966 . . . . 0.0 110.516 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 48.16 36.61 6.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.644 -1.285 . . . . 0.0 109.989 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.5 mttm 60.25 20.48 9.91 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.628 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.65 112.59 4.85 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.613 -1.305 . . . . 0.0 108.394 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -41.9 97.66 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.415 -0.803 . . . . 0.0 113.15 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.7 m-20 -68.88 -39.92 79.55 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.528 -1.357 . . . . 0.0 110.473 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.12 -38.73 75.65 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.063 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.52 -48.95 75.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.368 -0.832 . . . . 0.0 109.847 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 78.7 mtm180 -59.96 -47.01 87.57 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.177 -0.952 . . . . 0.0 111.093 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.78 -38.06 89.12 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.867 -1.145 . . . . 0.0 108.748 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -63.16 -48.63 77.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.232 -0.917 . . . . 0.0 111.572 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.14 -47.61 64.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.962 -1.086 . . . . 0.0 111.147 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -62.03 -47.45 84.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.934 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 28.0 t0 -68.34 -28.21 66.94 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.574 -0.704 . . . . 0.0 109.629 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 m -79.31 -34.55 42.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.221 -0.924 . . . . 0.0 111.296 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.9 p -132.42 -31.34 1.41 Allowed 'General case' 0 N--CA 1.504 2.262 0 O-C-N 120.482 -1.386 . . . . 0.0 112.221 -177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.3 15.64 11.27 Favored Glycine 0 N--CA 1.502 3.077 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.05 152.87 2.93 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.12 -1.223 . . . . 0.0 109.749 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.57 172.12 8.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.11 -0.994 . . . . 0.0 110.151 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.49 75.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.533 -0.729 . . . . 0.0 111.464 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -71.98 -39.99 68.89 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.592 -1.317 . . . . 0.0 110.041 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.7 mm100 -66.55 -38.2 86.6 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.518 -0.739 . . . . 0.0 110.293 -179.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -66.8 -37.19 84.07 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.966 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -60.03 -39.3 85.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.88 -1.138 . . . . 0.0 109.58 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.16 -40.0 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.828 -1.17 . . . . 0.0 110.807 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -67.83 -39.94 83.82 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.958 -1.089 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.92 -60.9 3.11 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.842 -1.161 . . . . 0.0 110.325 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.93 83.93 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 48.1 t -68.81 -49.07 61.57 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.136 -1.214 . . . . 0.0 109.712 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.95 -40.07 75.66 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.227 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.31 -40.02 92.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.136 -0.978 . . . . 0.0 109.511 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.87 -39.43 76.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.156 -0.965 . . . . 0.0 110.867 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 76.4 t90 -60.9 -43.05 99.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.558 -1.339 . . . . 0.0 108.631 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -60.73 -39.98 90.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.482 -0.761 . . . . 0.0 109.549 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.25 -32.21 69.79 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.435 -0.791 . . . . 0.0 110.265 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -34.43 19.74 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.137 -0.977 . . . . 0.0 110.386 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 91.6 m-85 -107.51 -87.27 0.49 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.316 -0.865 . . . . 0.0 110.896 -178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.567 -179.402 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 42.6 m -80.55 134.84 35.99 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 109.353 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 42.1 p -75.51 160.11 30.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.896 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 81.5 p -70.02 159.94 32.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.43 -0.794 . . . . 0.0 109.249 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' B' ' 5' ' ' GLN . 27.5 mp0 -60.5 -24.56 65.4 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.63 -0.669 . . . . 0.0 110.656 -178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -61.61 -37.72 84.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.914 -1.117 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -58.59 -50.48 73.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.045 -1.034 . . . . 0.0 110.441 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.09 -32.71 70.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.152 -0.968 . . . . 0.0 110.102 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -72.32 -37.13 69.0 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.71 -40.84 79.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.292 -0.88 . . . . 0.0 110.624 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.9 m -82.66 16.94 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.099 -1.001 . . . . 0.0 109.923 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.6 -4.77 9.26 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.653 -0.654 . . . . 0.0 110.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -151.02 150.57 27.83 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 120.916 -1.115 . . . . 0.0 109.853 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -44.5 164.52 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.042 1.828 . . . . 0.0 112.038 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.489 ' HE2' ' HB3' ' B' ' 15' ' ' MET . 13.6 ptp -91.41 -19.0 23.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.116 -0.99 . . . . 0.0 109.815 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 46.36 -141.75 5.54 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -106.77 26.02 10.53 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.965 . . . . 0.0 110.111 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -61.33 150.18 80.76 Favored Pre-proline 0 C--N 1.303 -1.43 0 O-C-N 121.015 -1.053 . . . . 0.0 108.249 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -62.22 153.33 70.57 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.598 2.199 . . . . 0.0 113.045 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.563 HG13 ' N ' ' B' ' 21' ' ' GLY . 8.0 p -54.08 -46.09 66.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-O 121.456 0.645 . . . . 0.0 110.204 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.563 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.1 -2.28 0.37 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.488 ' H ' ' C ' ' B' ' 20' ' ' VAL . 79.3 p -81.32 -24.47 37.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.033 -1.275 . . . . 0.0 109.069 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.34 138.21 58.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.703 0.763 . . . . 0.0 109.83 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -65.33 134.81 54.38 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.859 -0.737 . . . . 0.0 109.578 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.54 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 100.87 -17.22 56.66 Favored Glycine 0 N--CA 1.498 2.803 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -100.21 118.9 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.04 174.05 35.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.27 -39.95 84.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.428 -1.042 . . . . 0.0 110.222 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -69.17 -45.05 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.93 -1.106 . . . . 0.0 109.166 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.97 -39.98 87.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -0.876 . . . . 0.0 109.089 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.03 -39.99 96.43 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.12 -39.59 93.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.155 -1.203 . . . . 0.0 110.924 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -65.84 -41.55 91.59 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.638 -1.289 . . . . 0.0 110.231 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.11 -39.96 91.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.022 -1.049 . . . . 0.0 109.467 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.84 -40.01 91.25 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.861 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -69.54 -20.16 63.69 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.194 -0.941 . . . . 0.0 109.223 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -88.68 0.0 56.86 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.613 -0.679 . . . . 0.0 109.91 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.98 38.64 3.54 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.88 72.19 1.49 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -79.66 -15.09 58.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.476 -0.765 . . . . 0.0 110.537 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.402 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 67.2 mmtt -131.68 152.36 50.93 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.155 -0.965 . . . . 0.0 109.98 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.18 99.0 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.58 -0.7 . . . . 0.0 111.785 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.402 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 27.0 p90 -58.94 -18.72 36.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.726 -1.234 . . . . 0.0 111.28 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -77.55 -31.22 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.505 -1.372 . . . . 0.0 107.919 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 74.9 t -77.3 -34.69 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.429 HD22 ' CE ' ' B' ' 15' ' ' MET . 41.2 tp -59.99 -40.02 87.75 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.07 -41.67 98.12 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.03 -43.69 95.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.104 -1.233 . . . . 0.0 108.9 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -60.03 -39.94 87.62 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.37 -37.92 80.91 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.0 t -64.67 -29.31 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.347 -0.846 . . . . 0.0 110.197 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.9 mt -88.62 14.59 9.67 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.036 -1.04 . . . . 0.0 110.477 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 47.92 36.77 6.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.626 -1.296 . . . . 0.0 110.046 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 60.16 20.36 9.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.58 -0.7 . . . . 0.0 110.651 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -67.54 112.72 4.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.679 -1.263 . . . . 0.0 108.353 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.87 -42.1 97.59 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 113.057 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.7 m-20 -68.69 -39.96 80.3 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.643 -1.286 . . . . 0.0 110.432 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.16 -38.47 75.46 Favored 'General case' 0 C--N 1.291 -1.96 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.099 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -63.75 -48.87 75.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.0 109.811 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 78.8 mtm180 -59.97 -47.27 86.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.198 -0.939 . . . . 0.0 110.995 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -62.67 -37.97 88.52 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.93 -1.106 . . . . 0.0 108.709 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.5 t90 -63.25 -48.53 77.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.321 -0.862 . . . . 0.0 111.582 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -69.16 -47.85 63.88 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.947 -1.095 . . . . 0.0 111.011 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.86 -47.54 84.57 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.035 -1.041 . . . . 0.0 109.945 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 28.5 t0 -68.15 -28.25 67.14 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.617 -0.677 . . . . 0.0 109.703 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 43.1 m -79.29 -34.58 42.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.309 -0.869 . . . . 0.0 111.304 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.41 -31.4 1.41 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.598 -1.314 . . . . 0.0 112.236 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 15.9 11.05 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.24 152.87 3.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.089 -1.242 . . . . 0.0 109.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -92.53 172.1 8.6 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.176 -0.952 . . . . 0.0 110.127 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.3 75.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 111.407 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -72.04 -40.1 68.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.515 -1.366 . . . . 0.0 109.995 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.7 mm100 -66.65 -37.93 85.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 110.374 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 7.7 t -67.0 -37.04 83.49 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.342 -0.849 . . . . 0.0 109.924 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -60.09 -39.22 85.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.941 -1.099 . . . . 0.0 109.579 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.37 -39.97 85.69 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.811 -1.18 . . . . 0.0 110.801 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -67.81 -39.92 83.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.778 -1.201 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.92 -60.75 3.37 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.733 -1.229 . . . . 0.0 110.335 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.18 -32.84 83.96 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.474 -1.051 . . . . 0.0 110.474 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 48.7 t -68.9 -48.98 62.01 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.981 -1.306 . . . . 0.0 109.766 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.06 -39.86 75.4 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.121 -1.032 . . . . 0.0 109.29 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.38 -39.94 92.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.134 -0.979 . . . . 0.0 109.522 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.02 -39.42 75.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.169 -0.957 . . . . 0.0 110.817 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 76.3 t90 -60.98 -42.91 99.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.508 -1.37 . . . . 0.0 108.665 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.408 -0.808 . . . . 0.0 109.493 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.29 -32.11 69.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.491 -0.756 . . . . 0.0 110.252 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.76 -34.49 19.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.135 -0.978 . . . . 0.0 110.366 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.6 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 91.5 m-85 -107.42 -87.59 0.48 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.313 -0.867 . . . . 0.0 110.846 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 117.852 -1.07 . . . . 0.0 109.62 -179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -89.0 142.84 27.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.074 -1.016 . . . . 0.0 109.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.5 p -78.99 155.7 28.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.08 -1.013 . . . . 0.0 109.332 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.2 p -79.05 162.95 25.54 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.305 -0.872 . . . . 0.0 109.226 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' A' ' 5' ' ' GLN . 28.0 mp0 -60.03 -24.99 64.97 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.632 -0.668 . . . . 0.0 110.477 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -61.73 -37.25 83.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.959 -1.088 . . . . 0.0 109.925 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' O ' HG22 ' A' ' 11' ' ' VAL . 68.9 t60 -60.07 -50.95 71.71 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.156 -0.965 . . . . 0.0 110.502 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -69.93 -33.47 72.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.911 . . . . 0.0 110.248 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.28 -39.25 75.01 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.614 -0.678 . . . . 0.0 110.24 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -68.62 -39.94 80.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.339 -0.851 . . . . 0.0 110.939 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 7' ' ' HIS . 32.9 m -86.15 14.8 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.029 -1.044 . . . . 0.0 110.685 -179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.25 -7.2 11.26 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.28 -0.887 . . . . 0.0 110.558 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.22 152.64 23.73 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.902 -1.124 . . . . 0.0 109.311 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -41.86 160.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.994 1.796 . . . . 0.0 112.505 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.527 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.5 ptp -91.4 -18.92 23.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.893 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.08 -138.66 15.21 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.1 30.01 6.58 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.4 -1.059 . . . . 0.0 110.733 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -60.59 149.6 77.87 Favored Pre-proline 0 N--CA 1.493 1.689 0 O-C-N 120.679 -1.263 . . . . 0.0 108.938 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.92 153.15 75.11 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.49 2.126 . . . . 0.0 112.89 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' A' ' 22' ' ' SER . 1.7 p -54.11 -41.88 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.601 -0.687 . . . . 0.0 110.03 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.07 -3.63 1.35 Allowed Glycine 0 N--CA 1.488 2.145 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 20' ' ' VAL . 22.8 m -82.17 -20.44 37.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.989 -1.301 . . . . 0.0 109.032 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD21 ' A' ' 81' ' ' LEU . 93.3 mt -64.78 138.88 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 109.145 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.56 136.12 57.32 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.714 -0.794 . . . . 0.0 109.319 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.64 -20.0 50.03 Favored Glycine 0 N--CA 1.498 2.823 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -98.3 117.08 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.254 . . . . 0.0 108.212 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.57 176.5 38.29 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.424 -1.471 . . . . 0.0 109.424 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 46.8 mp0 -59.03 -40.14 84.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.243 -1.151 . . . . 0.0 110.439 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.48 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.72 -1.238 . . . . 0.0 109.322 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.61 -39.4 88.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.374 -0.828 . . . . 0.0 109.408 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.93 96.3 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.8 -39.91 93.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.409 -1.053 . . . . 0.0 110.479 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.03 -43.7 78.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.774 -1.204 . . . . 0.0 109.655 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.85 -39.97 91.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 108.53 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.03 -40.86 90.82 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.165 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.25 64.44 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -89.68 0.24 57.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.604 -0.685 . . . . 0.0 109.809 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.38 4.63 40.59 Favored Glycine 0 N--CA 1.505 3.243 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.149 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.37 75.55 1.25 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.797 -1.414 . . . . 0.0 109.546 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -83.5 -13.84 53.71 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.323 -0.86 . . . . 0.0 110.517 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.94 150.79 50.23 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.24 -0.913 . . . . 0.0 108.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.02 94.66 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 111.867 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -59.93 -19.74 53.48 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.521 -1.362 . . . . 0.0 111.275 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.4 -31.36 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.1 t -74.96 -39.92 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD22 ' CE ' ' A' ' 15' ' ' MET . 59.6 tp -59.84 -38.56 82.42 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.17 86.34 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.1 -45.71 92.05 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.196 -1.179 . . . . 0.0 109.545 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.419 -0.8 . . . . 0.0 109.049 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.74 -39.13 80.49 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.84 -26.88 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.39 -0.819 . . . . 0.0 110.105 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -87.96 13.01 11.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.184 -0.947 . . . . 0.0 110.316 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.66 38.99 12.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.765 -1.209 . . . . 0.0 110.437 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 59.99 20.08 9.16 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.424 -0.798 . . . . 0.0 110.587 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -68.73 106.94 2.82 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.394 -1.442 . . . . 0.0 108.42 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' CD ' ' NH2' ' A' ' 60' ' ' ARG . 34.0 tt0 -64.51 -40.03 94.89 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.26 -0.9 . . . . 0.0 112.525 -178.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.599 -1.313 . . . . 0.0 109.602 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.95 -39.3 76.13 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.316 -0.954 . . . . 0.0 109.238 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -64.23 -49.49 71.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.479 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' NH2' ' CD ' ' A' ' 56' ' ' GLU . 99.1 mtt180 -60.01 -47.38 86.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.41 -0.806 . . . . 0.0 110.586 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.65 -36.53 84.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.88 -1.137 . . . . 0.0 109.329 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.9 t90 -67.07 -43.56 82.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.684 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -68.9 -49.38 58.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.021 . . . . 0.0 110.864 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -61.56 -46.82 88.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.147 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.85 -27.07 65.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.825 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.6 m -80.26 -34.69 36.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.231 -0.918 . . . . 0.0 111.426 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -131.72 -29.89 1.68 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.548 -1.345 . . . . 0.0 112.381 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.07 14.45 24.54 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 155.22 3.92 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.2 -1.176 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -88.32 169.2 12.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.18 70.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.524 -0.735 . . . . 0.0 111.309 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.46 -40.44 70.33 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.583 -1.323 . . . . 0.0 110.056 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.67 -39.6 88.24 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.419 -0.8 . . . . 0.0 110.127 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 70.4 m -65.01 -39.81 93.97 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.392 -0.817 . . . . 0.0 110.65 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -60.09 -36.75 78.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.722 -1.236 . . . . 0.0 109.721 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -67.88 -39.68 83.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.586 -1.321 . . . . 0.0 110.787 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.12 -39.9 82.64 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.805 -1.184 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -58.67 -60.91 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.725 -1.234 . . . . 0.0 110.05 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.51 -32.04 81.76 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.87 -49.62 56.74 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.852 -1.381 . . . . 0.0 109.645 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.523 HD21 HD22 ' A' ' 23' ' ' LEU . 91.1 mt -70.05 -40.04 75.35 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.314 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -61.24 -40.7 95.02 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.004 -1.06 . . . . 0.0 110.172 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.09 -37.3 75.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.435 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.3 t90 -59.99 -45.33 93.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.739 -1.225 . . . . 0.0 108.308 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -61.54 -40.05 93.27 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.96 -33.59 72.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.39 -0.819 . . . . 0.0 109.558 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.47 -37.08 20.14 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.201 -0.937 . . . . 0.0 109.854 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 86.0 m-85 -104.07 -84.65 0.48 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.36 -0.837 . . . . 0.0 110.519 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.492 1.675 0 O-C-N 120.993 -1.067 . . . . 0.0 109.413 -179.517 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.9 ttt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 31.5 p -89.2 142.77 27.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.07 -1.019 . . . . 0.0 109.347 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.7 p -78.78 155.56 29.23 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.38 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -79.1 163.13 25.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.909 . . . . 0.0 109.155 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.409 ' H ' ' CD ' ' B' ' 5' ' ' GLN . 28.0 mp0 -60.2 -24.91 65.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.604 -0.685 . . . . 0.0 110.464 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -61.91 -37.34 84.26 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.972 -1.08 . . . . 0.0 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.426 ' O ' HG22 ' B' ' 11' ' ' VAL . 68.9 t60 -59.94 -50.96 71.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.216 -0.928 . . . . 0.0 110.471 -178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -70.08 -33.25 71.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.19 -0.944 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -70.48 -39.06 74.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 110.226 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.7 -40.13 80.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.925 . . . . 0.0 110.818 -178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 7' ' ' HIS . 32.9 m -85.87 14.7 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.911 -1.118 . . . . 0.0 110.699 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.24 -7.23 11.26 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.233 -0.917 . . . . 0.0 110.602 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -156.12 152.82 24.27 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.834 -1.166 . . . . 0.0 109.238 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -41.86 159.9 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.107 1.871 . . . . 0.0 112.474 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.54 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.5 ptp -91.33 -19.01 23.4 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.265 -0.897 . . . . 0.0 109.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.16 -138.69 15.63 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -107.18 30.01 6.59 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -1.027 . . . . 0.0 110.732 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.83 149.51 80.1 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 120.817 -1.177 . . . . 0.0 108.899 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.8 153.17 74.43 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 122.458 2.105 . . . . 0.0 113.001 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' B' ' 22' ' ' SER . 1.8 p -54.12 -41.94 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.548 -0.72 . . . . 0.0 110.051 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.95 -3.76 1.35 Allowed Glycine 0 N--CA 1.488 2.103 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' ' 20' ' ' VAL . 22.6 m -82.07 -20.13 38.81 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.859 -1.377 . . . . 0.0 109.118 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.541 HD22 HD21 ' B' ' 81' ' ' LEU . 93.4 mt -64.97 138.86 58.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.113 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 136.28 57.42 Favored 'General case' 0 C--N 1.296 -1.742 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.266 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.55 -20.06 49.91 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.7 mm -98.22 116.98 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.098 -1.237 . . . . 0.0 108.268 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.52 176.5 38.36 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 46.7 mp0 -59.1 -40.02 84.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -1.136 . . . . 0.0 110.512 -179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.21 -45.55 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 109.299 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.6 -39.45 88.4 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.405 -0.81 . . . . 0.0 109.432 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.85 96.29 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -1.084 . . . . 0.0 110.515 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -67.89 -43.75 78.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.779 -1.201 . . . . 0.0 109.648 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.06 -39.87 91.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.162 -0.961 . . . . 0.0 108.506 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.06 -40.76 90.59 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.198 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.6 -19.11 64.43 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 108.952 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.74 0.15 57.17 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.573 -0.704 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 4.56 40.56 Favored Glycine 0 N--CA 1.504 3.222 0 O-C-N 121.205 -0.935 . . . . 0.0 112.132 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.13 75.55 1.28 Allowed 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.669 -1.489 . . . . 0.0 109.59 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -83.37 -13.92 53.9 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.272 -0.892 . . . . 0.0 110.43 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -128.84 150.8 50.18 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.267 -0.895 . . . . 0.0 108.991 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.83 -39.9 94.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.382 -0.824 . . . . 0.0 111.756 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -59.98 -19.85 54.47 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.56 -1.337 . . . . 0.0 111.405 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -77.95 -31.66 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.262 -1.385 . . . . 0.0 107.262 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.4 t -74.92 -39.88 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.54 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.0 -38.54 82.9 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.02 -42.11 86.37 Favored Glycine 0 N--CA 1.483 1.805 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -60.07 -45.64 92.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.12 -1.224 . . . . 0.0 109.618 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -59.92 -40.14 87.82 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.406 -0.809 . . . . 0.0 109.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.68 -39.21 80.69 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.85 -26.76 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 110.139 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -87.94 12.99 11.85 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.111 -0.993 . . . . 0.0 110.298 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 48.77 38.87 12.7 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.692 -1.255 . . . . 0.0 110.575 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.572 -0.705 . . . . 0.0 110.578 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -68.64 106.72 2.71 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.448 -1.408 . . . . 0.0 108.467 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.468 ' CD ' ' NH2' ' B' ' 60' ' ' ARG . 33.8 tt0 -64.6 -40.0 94.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.259 -0.901 . . . . 0.0 112.443 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.13 -40.0 86.72 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.642 -1.286 . . . . 0.0 109.616 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.98 -39.37 75.98 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.145 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.05 -49.4 72.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.404 -0.81 . . . . 0.0 109.632 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.468 ' NH2' ' CD ' ' B' ' 56' ' ' GLU . 99.1 mtt180 -60.13 -47.4 86.06 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.509 -0.744 . . . . 0.0 110.526 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.55 -36.67 84.54 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.848 -1.157 . . . . 0.0 109.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 50.1 t90 -66.96 -43.69 82.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.132 -0.98 . . . . 0.0 110.691 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.96 -49.34 58.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.98 -1.075 . . . . 0.0 110.849 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -61.58 -46.76 88.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.941 . . . . 0.0 110.155 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -68.94 -27.09 65.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.341 -0.849 . . . . 0.0 109.752 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -80.32 -34.47 36.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.0 111.483 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.1 p -131.93 -29.78 1.64 Allowed 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.597 -1.314 . . . . 0.0 112.286 -177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.89 14.58 24.56 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.32 155.17 3.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.176 -1.191 . . . . 0.0 109.926 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -88.11 169.15 12.17 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.141 -0.974 . . . . 0.0 109.867 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.78 -28.93 70.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.401 -0.812 . . . . 0.0 111.361 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.53 -40.3 70.16 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.52 -1.363 . . . . 0.0 110.029 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.8 -39.6 87.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.437 -0.789 . . . . 0.0 110.169 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 71.0 m -64.96 -39.83 94.08 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.312 -0.867 . . . . 0.0 110.669 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -60.04 -36.82 78.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.741 -1.224 . . . . 0.0 109.669 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -67.58 -39.94 84.85 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.539 -1.351 . . . . 0.0 110.784 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -67.91 -40.1 83.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.71 -1.244 . . . . 0.0 110.176 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.51 -60.96 2.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.75 -1.218 . . . . 0.0 110.116 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.39 -32.26 82.32 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.65 -49.78 56.42 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.918 -1.342 . . . . 0.0 109.712 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.541 HD21 HD22 ' B' ' 23' ' ' LEU . 90.9 mt -70.06 -40.07 75.29 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.31 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.99 -40.89 95.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.088 -1.007 . . . . 0.0 110.1 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.1 -37.17 75.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.166 -0.959 . . . . 0.0 110.55 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.0 t90 -60.1 -45.42 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.767 -1.208 . . . . 0.0 108.254 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.5 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.99 -33.68 72.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 0.0 109.518 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.53 -36.94 20.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.154 -0.966 . . . . 0.0 109.926 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 85.6 m-85 -104.08 -84.68 0.48 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.331 -0.856 . . . . 0.0 110.356 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.053 -1.029 . . . . 0.0 109.484 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.8 tpp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.8 p -73.06 158.66 34.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.114 -0.991 . . . . 0.0 109.683 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -80.74 170.08 16.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.356 -0.84 . . . . 0.0 109.48 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.6 p -69.05 159.9 32.01 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.81 -25.41 66.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.5 -0.75 . . . . 0.0 111.045 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.44 -39.97 95.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.682 -1.262 . . . . 0.0 110.168 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.503 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 69.4 t60 -60.05 -52.42 65.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.91 -178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -70.07 -34.46 73.2 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.938 -1.101 . . . . 0.0 109.828 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.53 -0.731 . . . . 0.0 110.221 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.39 -40.0 81.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.011 -1.056 . . . . 0.0 110.22 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.13 13.71 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.083 -1.011 . . . . 0.0 110.382 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.92 -7.87 11.35 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.331 -0.856 . . . . 0.0 110.418 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -154.71 152.9 26.77 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 120.952 -1.092 . . . . 0.0 109.527 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -41.57 159.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 122.134 1.889 . . . . 0.0 111.991 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.702 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.6 ptp -91.27 -19.17 23.28 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.268 -0.895 . . . . 0.0 109.541 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.24 -140.93 17.47 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.63 29.62 6.42 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.429 -1.042 . . . . 0.0 110.128 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -61.15 149.16 83.19 Favored Pre-proline 0 N--CA 1.488 1.457 0 O-C-N 121.093 -1.004 . . . . 0.0 108.35 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.53 155.83 64.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.231 1.954 . . . . 0.0 112.757 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -52.57 -43.4 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.633 -0.667 . . . . 0.0 110.238 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.57 -3.05 0.89 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' VAL . 39.0 t -81.52 -21.08 38.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.743 -1.445 . . . . 0.0 109.012 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.84 139.73 58.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.414 -0.804 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.46 136.24 56.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.724 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.89 -21.59 44.17 Favored Glycine 0 N--CA 1.497 2.761 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.31 115.73 37.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.108 -1.23 . . . . 0.0 107.914 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.01 178.07 40.3 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -58.66 -40.03 82.34 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -1.085 . . . . 0.0 110.332 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.67 -44.66 85.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.788 -1.195 . . . . 0.0 109.356 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 27' ' ' GLY . 87.6 mt -67.02 -37.71 84.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.475 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.13 -38.91 93.75 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.63 -37.82 87.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.111 -1.229 . . . . 0.0 110.31 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.08 -45.54 80.9 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.842 -1.161 . . . . 0.0 110.033 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.56 -38.53 87.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.142 -0.974 . . . . 0.0 109.211 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.0 -40.73 90.23 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.659 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.94 -19.99 65.03 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.183 -0.948 . . . . 0.0 109.045 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -90.04 0.99 56.83 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.605 -0.684 . . . . 0.0 109.763 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.24 38.7 3.95 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 121.063 -1.023 . . . . 0.0 111.0 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.43 73.77 1.51 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.122 -1.222 . . . . 0.0 108.893 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -82.55 -12.38 57.79 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.005 -1.059 . . . . 0.0 110.393 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.92 50.53 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.152 -0.967 . . . . 0.0 109.876 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.95 94.71 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.61 -0.681 . . . . 0.0 111.596 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.422 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 30.0 p90 -60.1 -20.13 56.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.712 -1.243 . . . . 0.0 111.433 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -78.45 -32.02 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.415 -1.428 . . . . 0.0 107.477 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.16 -37.12 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.702 HD22 ' CE ' ' A' ' 15' ' ' MET . 33.8 tp -59.99 -39.86 87.16 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.33 -42.15 93.44 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.96 -40.91 90.63 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.064 -1.257 . . . . 0.0 109.046 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -60.01 -39.96 87.64 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.14 -38.69 85.99 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 119.753 -0.779 . . . . 0.0 108.902 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -68.24 -28.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 111.428 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 14.42 7.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.877 -1.139 . . . . 0.0 110.821 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm 59.94 19.57 8.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.2 mttt 60.18 19.96 9.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.723 . . . . 0.0 111.219 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.75 124.75 23.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.36 -1.463 . . . . 0.0 107.738 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.3 tt0 -64.54 -40.77 96.22 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.102 -0.999 . . . . 0.0 113.503 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.0 -39.84 75.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.533 -1.354 . . . . 0.0 110.559 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.97 -37.41 75.76 Favored 'General case' 0 C--N 1.29 -2.013 0 C-N-CA 119.02 -1.072 . . . . 0.0 109.123 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -63.51 -45.0 92.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.165 -0.96 . . . . 0.0 109.763 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 96.4 mtt180 -60.04 -45.38 93.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.368 -0.832 . . . . 0.0 111.288 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.71 -36.9 84.95 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.759 -1.213 . . . . 0.0 109.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.74 -49.63 76.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.075 -1.016 . . . . 0.0 110.919 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.16 -46.3 71.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.954 -1.091 . . . . 0.0 110.303 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -61.11 -49.95 75.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.076 -1.015 . . . . 0.0 110.558 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -69.37 -26.37 64.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.431 -0.793 . . . . 0.0 109.745 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.2 m -79.92 -35.24 38.14 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.256 -0.902 . . . . 0.0 111.033 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -131.13 -27.24 2.05 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.547 -1.346 . . . . 0.0 111.95 -178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.67 14.86 20.44 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.33 153.92 1.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.137 -1.213 . . . . 0.0 109.145 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -90.79 170.71 9.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.776 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.65 72.21 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.768 . . . . 0.0 110.847 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.41 -41.41 69.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.852 -1.155 . . . . 0.0 110.269 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -67.09 -35.54 80.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.0 110.535 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.6 p -66.92 -38.08 85.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.174 -0.954 . . . . 0.0 109.945 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.07 -38.9 87.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.862 -1.148 . . . . 0.0 110.099 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.16 -39.81 82.5 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.718 -1.239 . . . . 0.0 110.672 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.48 -39.95 81.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.912 -1.117 . . . . 0.0 110.204 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -60.66 -59.31 5.59 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.579 -1.326 . . . . 0.0 110.245 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.69 -33.21 81.57 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 53.7 t -68.52 -48.21 64.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.07 -1.253 . . . . 0.0 109.428 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.9 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 82' ' ' ARG . 1.2 tpt180 -60.27 -40.72 91.37 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.104 -0.997 . . . . 0.0 109.266 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 0.0 111.434 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.2 t90 -59.95 -44.27 94.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.313 -1.492 . . . . 0.0 108.59 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -61.97 -39.96 93.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.643 -0.66 . . . . 0.0 109.563 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.6 -33.53 71.59 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.437 -0.789 . . . . 0.0 109.728 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.73 -35.59 17.83 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.302 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 82.3 m-85 -105.32 -85.71 0.48 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.244 -0.91 . . . . 0.0 110.412 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 N--CA 1.494 1.745 0 O-C-N 120.817 -1.177 . . . . 0.0 108.585 -179.457 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.3 tpp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -72.96 158.87 34.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.065 -1.022 . . . . 0.0 109.707 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -80.87 170.04 16.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.33 -0.856 . . . . 0.0 109.454 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.4 p -69.07 159.85 32.11 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.0 108.579 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.75 -25.32 66.39 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.443 -0.786 . . . . 0.0 111.092 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.59 -39.95 95.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.606 -1.309 . . . . 0.0 110.16 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.501 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 69.1 t60 -60.02 -52.46 65.28 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -70.07 -34.47 73.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.041 -1.037 . . . . 0.0 109.792 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -70.91 -39.44 72.72 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.525 -0.734 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.062 -1.023 . . . . 0.0 110.365 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 m -85.14 13.86 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.025 -1.047 . . . . 0.0 110.274 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.09 -7.97 11.25 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.277 -0.89 . . . . 0.0 110.466 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.67 152.89 26.81 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 120.886 -1.134 . . . . 0.0 109.488 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -41.54 160.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.074 1.849 . . . . 0.0 112.108 178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.692 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.6 ptp -91.25 -19.38 23.07 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.252 -0.905 . . . . 0.0 109.645 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.28 -140.93 17.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -105.64 29.68 6.37 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.418 -1.048 . . . . 0.0 110.117 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.27 149.39 82.96 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.941 -1.099 . . . . 0.0 108.289 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.63 155.56 66.09 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.286 1.991 . . . . 0.0 112.814 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.4 p -52.3 -43.32 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.655 -0.653 . . . . 0.0 110.265 -179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.59 -3.11 0.92 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.416 ' H ' ' C ' ' B' ' 20' ' ' VAL . 38.4 t -81.51 -21.09 38.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.798 -1.413 . . . . 0.0 109.045 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.91 139.78 58.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.514 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 136.12 56.74 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.657 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.98 -21.41 44.88 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.46 115.63 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.223 -1.163 . . . . 0.0 107.915 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.419 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.81 178.19 40.7 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -58.75 -39.95 82.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.444 -1.033 . . . . 0.0 110.327 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.76 -44.75 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.898 -1.127 . . . . 0.0 109.312 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.419 HD12 ' H ' ' B' ' 27' ' ' GLY . 87.1 mt -66.93 -37.69 84.79 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.98 93.96 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.52 -37.88 88.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -1.21 . . . . 0.0 110.306 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.01 -45.52 81.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.773 -1.204 . . . . 0.0 109.994 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.69 -38.52 88.13 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.115 -0.991 . . . . 0.0 109.105 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.05 -40.71 90.35 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 119.286 -0.966 . . . . 0.0 109.607 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.01 -20.01 64.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.156 -0.965 . . . . 0.0 109.024 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -90.0 0.94 56.83 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.46 -0.775 . . . . 0.0 109.717 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.29 38.8 3.91 Favored Glycine 0 N--CA 1.499 2.894 0 C-N-CA 120.179 -1.01 . . . . 0.0 110.965 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -134.48 73.76 1.5 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.167 -1.196 . . . . 0.0 108.875 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -82.62 -12.23 57.82 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.977 -1.077 . . . . 0.0 110.368 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 30.9 mmtp -130.6 151.9 50.56 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.067 -1.021 . . . . 0.0 109.873 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.97 94.76 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.551 -0.718 . . . . 0.0 111.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 30.3 p90 -60.22 -20.03 57.01 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.647 -1.283 . . . . 0.0 111.429 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.3 t -78.53 -31.98 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.393 -1.442 . . . . 0.0 107.454 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 59.6 t -78.17 -37.21 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.692 HD22 ' CE ' ' B' ' 15' ' ' MET . 33.5 tp -59.94 -39.75 86.6 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 178.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.55 -41.97 93.8 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -60.05 -40.92 91.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.13 -1.218 . . . . 0.0 108.967 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.96 -40.03 87.63 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.07 -38.76 86.35 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.869 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.25 -28.32 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.473 -0.767 . . . . 0.0 111.343 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -86.87 14.33 7.44 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.831 -1.168 . . . . 0.0 110.797 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 59.94 19.55 8.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.301 -0.875 . . . . 0.0 109.475 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 60.12 19.99 9.25 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.519 -0.738 . . . . 0.0 111.229 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.76 124.68 23.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.481 -1.387 . . . . 0.0 107.714 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.4 tt0 -64.57 -40.77 96.15 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.172 -0.955 . . . . 0.0 113.528 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -69.97 -39.86 75.74 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.697 -1.252 . . . . 0.0 110.612 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -69.94 -37.39 75.86 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.113 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.5 -44.9 93.01 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.068 -1.02 . . . . 0.0 109.814 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 96.4 mtt180 -60.11 -45.48 92.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.416 -0.803 . . . . 0.0 111.223 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -65.6 -36.97 85.28 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.702 -1.249 . . . . 0.0 109.262 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -60.65 -49.64 76.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.093 -1.004 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.2 tp -68.19 -46.47 70.56 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.107 -0.996 . . . . 0.0 110.265 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -61.05 -49.96 75.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.126 -0.984 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -69.24 -26.4 64.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.317 -0.865 . . . . 0.0 109.736 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.3 m -79.99 -35.21 37.8 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.206 -0.934 . . . . 0.0 111.132 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -130.99 -27.32 2.07 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.644 -1.285 . . . . 0.0 111.92 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.47 15.05 20.32 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.27 153.76 1.93 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.01 -1.288 . . . . 0.0 109.104 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -90.58 170.7 9.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.109 -0.994 . . . . 0.0 109.802 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.65 72.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.468 -0.77 . . . . 0.0 110.853 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.3 -41.47 69.9 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.701 -1.249 . . . . 0.0 110.202 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.07 -35.84 80.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 0.0 110.508 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 19.5 p -66.67 -38.11 86.15 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 110.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.09 -38.81 87.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.852 -1.155 . . . . 0.0 110.119 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -68.07 -39.95 82.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.717 -1.239 . . . . 0.0 110.68 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.44 -40.12 81.27 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.887 -1.133 . . . . 0.0 110.126 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.42 -59.29 5.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.604 -1.31 . . . . 0.0 110.41 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.74 -33.21 81.8 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.096 -1.05 . . . . 0.0 110.484 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.8 t -68.49 -48.23 64.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.11 -1.23 . . . . 0.0 109.4 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.95 -40.01 75.69 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.921 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 82' ' ' ARG . 1.2 tpt180 -60.21 -40.77 91.3 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.141 -0.974 . . . . 0.0 109.185 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.501 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -39.98 75.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.113 -0.992 . . . . 0.0 111.531 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.624 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.2 t90 -60.14 -44.08 95.21 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.217 -1.552 . . . . 0.0 108.559 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.2 m -62.01 -39.99 94.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.518 -0.739 . . . . 0.0 109.541 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.66 -33.46 71.57 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.464 -0.773 . . . . 0.0 109.738 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.77 -35.53 17.82 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.179 -0.95 . . . . 0.0 110.307 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.624 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 82.1 m-85 -105.28 -85.72 0.48 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.329 -0.857 . . . . 0.0 110.366 -178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 O-C-N 120.856 -1.153 . . . . 0.0 108.72 -179.459 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p -85.1 161.59 19.61 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.238 -0.914 . . . . 0.0 110.512 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 p -82.48 170.07 15.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.578 -0.701 . . . . 0.0 109.472 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.4 p -70.02 166.5 19.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.239 -0.913 . . . . 0.0 110.154 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.37 -19.74 56.89 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.814 -0.554 . . . . 0.0 110.818 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.51 -37.32 87.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.024 -1.048 . . . . 0.0 109.681 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.66 -49.3 78.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.072 -1.018 . . . . 0.0 110.522 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.93 -31.03 68.57 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.11 -0.994 . . . . 0.0 110.328 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -70.5 -39.97 73.83 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 110.166 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -67.2 -42.25 84.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.407 -0.808 . . . . 0.0 110.483 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.9 14.77 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.071 -1.018 . . . . 0.0 110.03 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.65 -9.8 13.71 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.425 -0.797 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.65 153.15 28.56 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 120.843 -1.16 . . . . 0.0 109.959 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.74 160.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.81 1.673 . . . . 0.0 111.373 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' A' ' 46' ' ' LEU . 7.3 ptp -88.93 -19.97 25.1 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.964 -1.085 . . . . 0.0 109.496 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.58 -142.65 11.25 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.63 28.89 5.67 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.582 -0.952 . . . . 0.0 110.377 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.75 88.67 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 120.99 -1.069 . . . . 0.0 108.443 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.4 159.45 50.28 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.403 2.069 . . . . 0.0 112.746 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.5 p -55.7 -46.08 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.694 -0.629 . . . . 0.0 111.081 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -55.67 -2.9 0.36 Allowed Glycine 0 N--CA 1.492 2.423 0 O-C-N 121.33 -0.856 . . . . 0.0 110.987 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 20' ' ' VAL . 48.8 m -81.0 -18.19 47.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.735 -1.45 . . . . 0.0 109.564 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.86 136.44 56.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.15 -0.969 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.482 ' HB3' ' SG ' ' A' ' 80' ' ' CYS . . . -66.29 139.7 58.08 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 121.706 0.765 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.32 60.13 Favored Glycine 0 N--CA 1.497 2.73 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -97.41 118.0 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.73 169.35 40.67 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -1.07 . . . . 0.0 110.106 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.44 -42.59 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 120.925 -1.11 . . . . 0.0 109.424 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.78 -38.76 87.17 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.324 -0.86 . . . . 0.0 109.709 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.04 -39.84 96.24 Favored Glycine 0 N--CA 1.486 2.027 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.24 -38.89 90.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -1.147 . . . . 0.0 110.602 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.91 -42.3 90.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.684 -1.26 . . . . 0.0 109.978 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.16 -39.02 91.24 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.044 -1.035 . . . . 0.0 109.482 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.04 -40.01 87.9 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 119.309 -0.956 . . . . 0.0 109.188 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.55 -19.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.359 -0.838 . . . . 0.0 109.191 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.29 -2.06 58.39 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.518 -0.739 . . . . 0.0 110.138 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.82 2.03 36.75 Favored Glycine 0 N--CA 1.505 3.278 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.538 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -102.09 75.49 1.52 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.878 -1.366 . . . . 0.0 108.196 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -78.81 -12.37 60.02 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.528 -0.732 . . . . 0.0 110.757 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.69 159.48 42.0 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.981 -1.074 . . . . 0.0 110.137 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.25 90.3 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -57.22 -18.42 15.84 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.239 -1.538 . . . . 0.0 111.459 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.97 -33.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.494 -1.379 . . . . 0.0 108.461 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.29 -39.9 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.97 -38.49 82.66 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.71 -41.58 90.33 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.09 -42.81 95.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -1.176 . . . . 0.0 108.995 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.19 -0.944 . . . . 0.0 109.021 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.39 -38.76 78.13 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.22 -22.52 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.1 mt -90.33 13.54 15.18 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.066 -1.021 . . . . 0.0 110.92 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.49 39.58 13.25 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.581 -1.325 . . . . 0.0 109.977 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.04 19.99 9.15 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.227 -0.921 . . . . 0.0 110.778 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -66.91 106.95 2.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.387 -1.446 . . . . 0.0 108.122 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.2 -40.64 98.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.397 -0.815 . . . . 0.0 112.426 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.2 m-20 -69.54 -39.31 77.53 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.764 -1.21 . . . . 0.0 109.993 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.02 -38.85 76.02 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.038 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -63.58 -50.08 70.85 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.195 -0.941 . . . . 0.0 109.974 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.4 mtm180 -61.4 -45.63 93.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.42 -0.8 . . . . 0.0 110.887 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -62.64 -36.66 83.54 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.108 . . . . 0.0 108.854 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -63.76 -46.44 85.3 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.94 -48.29 63.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.188 -0.945 . . . . 0.0 111.112 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.38 -49.06 78.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.072 -1.017 . . . . 0.0 110.576 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -70.02 -26.11 63.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 110.013 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.7 m -80.46 -34.21 36.14 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 110.902 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.61 -31.84 1.76 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.649 -1.282 . . . . 0.0 111.661 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.1 15.88 13.55 Favored Glycine 0 N--CA 1.499 2.894 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.78 2.63 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.126 -1.22 . . . . 0.0 109.622 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.71 172.12 8.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.235 -0.916 . . . . 0.0 110.196 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.7 75.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.45 -0.781 . . . . 0.0 110.868 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.28 73.01 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.696 -1.253 . . . . 0.0 110.063 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.61 -40.03 88.64 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.328 -0.857 . . . . 0.0 110.322 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.1 m -64.11 -39.29 93.73 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.32 -0.862 . . . . 0.0 110.643 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -59.99 -38.22 81.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.71 -1.244 . . . . 0.0 109.593 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.74 -38.78 83.97 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.803 -1.185 . . . . 0.0 110.658 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.09 -39.92 86.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.9 -1.125 . . . . 0.0 110.509 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.66 -60.02 4.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.494 -1.379 . . . . 0.0 110.013 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.03 -31.69 73.42 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 24' ' ' ALA . 49.7 t -69.99 -50.15 44.47 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.172 -1.193 . . . . 0.0 109.907 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.74 -41.24 68.71 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.488 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.64 -40.7 95.83 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.363 -0.836 . . . . 0.0 110.726 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -70.19 -36.92 74.96 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.177 -0.952 . . . . 0.0 110.533 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.7 t90 -60.55 -45.99 91.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.52 -1.363 . . . . 0.0 108.512 178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 89' ' ' LEU . 90.7 m -60.03 -40.03 87.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.533 -0.729 . . . . 0.0 110.18 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -59.89 -31.22 69.6 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.067 -1.021 . . . . 0.0 109.982 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.31 -33.24 15.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.047 -1.033 . . . . 0.0 110.76 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 94.8 m-85 -111.09 2.76 18.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.277 -0.89 . . . . 0.0 112.067 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 85' ' ' CYS . 7.3 tp . . . . . 0 N--CA 1.503 2.182 0 O-C-N 120.915 -1.116 . . . . 0.0 109.09 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -85.1 161.64 19.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.287 -0.883 . . . . 0.0 110.522 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 71.7 p -82.46 170.02 15.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.638 -0.664 . . . . 0.0 109.444 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.6 p -70.01 166.48 19.59 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.208 -0.932 . . . . 0.0 110.148 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.51 -19.47 57.04 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.897 -0.502 . . . . 0.0 110.81 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.67 -37.24 86.89 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.982 -1.074 . . . . 0.0 109.698 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.75 -49.25 78.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.03 -1.044 . . . . 0.0 110.446 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.04 -30.98 68.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.117 -0.989 . . . . 0.0 110.281 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.46 -40.04 73.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.918 . . . . 0.0 110.21 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -67.21 -42.24 84.44 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.382 -0.824 . . . . 0.0 110.485 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -85.89 14.89 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.085 -1.01 . . . . 0.0 110.007 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.88 -9.74 13.62 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.453 -0.779 . . . . 0.0 110.505 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -153.57 153.07 28.54 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 120.857 -1.152 . . . . 0.0 109.905 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -42.7 160.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 121.8 1.667 . . . . 0.0 111.405 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.514 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.3 ptp -89.18 -20.04 24.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 109.398 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.62 -142.62 11.46 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.361 -1.095 . . . . 0.0 110.361 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.8 29.04 5.63 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.499 -1.001 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -62.22 148.68 88.77 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.045 -1.035 . . . . 0.0 108.449 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.38 159.48 50.05 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.353 2.035 . . . . 0.0 112.78 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.75 -46.09 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.691 -0.631 . . . . 0.0 111.02 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.5 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.56 -2.99 0.35 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 20' ' ' VAL . 49.6 m -81.01 -18.11 47.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.724 -1.456 . . . . 0.0 109.611 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.79 136.42 56.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.147 -0.97 . . . . 0.0 109.791 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' B' ' 80' ' ' CYS . . . -66.3 139.72 58.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.644 0.735 . . . . 0.0 110.11 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.29 -16.31 60.14 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 mm -97.43 118.14 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -86.72 169.38 40.73 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -56.98 -39.95 75.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -1.057 . . . . 0.0 110.168 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -69.49 -42.54 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.975 -1.078 . . . . 0.0 109.459 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.9 -38.67 86.7 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.298 -0.876 . . . . 0.0 109.68 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.89 96.29 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.2 -38.94 91.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.276 -1.131 . . . . 0.0 110.629 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -65.83 -42.47 90.51 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.635 -1.291 . . . . 0.0 109.912 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.05 -39.01 90.9 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.0 -1.063 . . . . 0.0 109.52 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.15 -39.93 88.1 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.264 -0.974 . . . . 0.0 109.188 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.52 -19.28 63.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.24 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -88.31 -2.05 58.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.567 -0.708 . . . . 0.0 110.082 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.79 1.92 36.82 Favored Glycine 0 N--CA 1.504 3.193 0 O-C-N 121.1 -1.0 . . . . 0.0 111.606 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -101.95 75.5 1.54 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.983 -1.304 . . . . 0.0 108.181 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -78.82 -12.41 60.03 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 110.745 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -138.66 159.5 41.95 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.979 -1.076 . . . . 0.0 110.134 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.54 -43.18 90.74 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -57.3 -18.39 16.55 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.281 -1.512 . . . . 0.0 111.412 -177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 25.6 t -80.01 -33.34 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.555 -1.341 . . . . 0.0 108.42 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.21 -40.0 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.514 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.0 tp -60.03 -38.37 82.5 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.61 90.28 Favored Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -60.08 -42.83 95.45 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.132 -1.216 . . . . 0.0 108.926 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -60.11 -40.08 88.44 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.253 -0.904 . . . . 0.0 109.063 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.45 -38.84 77.98 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.745 -0.782 . . . . 0.0 108.895 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -22.65 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.348 -0.845 . . . . 0.0 110.638 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.31 13.59 14.99 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.131 -0.981 . . . . 0.0 110.865 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.5 39.51 13.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.611 -1.306 . . . . 0.0 110.004 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt 60.05 19.96 9.13 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.296 -0.877 . . . . 0.0 110.798 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.82 106.88 2.0 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.358 -1.464 . . . . 0.0 108.175 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.11 -40.71 98.41 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.373 -0.829 . . . . 0.0 112.445 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.494 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.2 m-20 -69.4 -39.37 77.97 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.765 -1.209 . . . . 0.0 110.089 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.96 -38.87 76.22 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 118.971 -1.092 . . . . 0.0 109.059 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -63.66 -49.99 71.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.221 -0.925 . . . . 0.0 109.957 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.494 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.4 mtm180 -61.46 -45.66 93.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 110.797 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.55 -36.74 83.57 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.884 -1.135 . . . . 0.0 108.818 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -63.81 -46.34 85.58 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.316 -0.865 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.0 -48.27 63.49 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.162 -0.961 . . . . 0.0 111.136 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -61.39 -49.2 77.87 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.051 -1.03 . . . . 0.0 110.555 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -69.86 -26.17 64.07 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.198 -0.939 . . . . 0.0 109.999 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.5 m -80.36 -34.41 36.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.046 -1.034 . . . . 0.0 110.879 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.4 -31.9 1.8 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.734 -1.229 . . . . 0.0 111.704 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.05 16.0 13.38 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.65 152.74 2.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.107 -1.231 . . . . 0.0 109.55 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -92.64 172.13 8.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.234 -0.916 . . . . 0.0 110.221 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.68 75.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.541 -0.725 . . . . 0.0 110.921 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -70.46 -41.18 73.13 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.575 -1.328 . . . . 0.0 110.088 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.65 -39.98 88.48 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.241 -0.912 . . . . 0.0 110.389 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 66.1 m -64.22 -39.22 93.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.354 -0.841 . . . . 0.0 110.623 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -60.02 -38.17 81.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.787 -1.195 . . . . 0.0 109.631 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -67.8 -38.71 83.66 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.76 -1.213 . . . . 0.0 110.74 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -66.99 -40.05 87.28 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.793 -1.192 . . . . 0.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.64 -59.99 4.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.53 -1.356 . . . . 0.0 109.978 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.0 -31.7 73.32 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' B' ' 24' ' ' ALA . 49.8 t -70.02 -50.14 44.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.184 -1.186 . . . . 0.0 109.858 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.7 -41.25 68.84 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.519 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -61.63 -40.8 96.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.349 -0.844 . . . . 0.0 110.631 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -70.04 -37.04 75.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.564 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.6 t90 -60.53 -46.04 91.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.582 -1.324 . . . . 0.0 108.482 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.545 ' O ' ' N ' ' B' ' 89' ' ' LEU . 88.5 m -59.96 -40.09 87.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.467 -0.771 . . . . 0.0 110.173 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -59.8 -31.3 69.58 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.041 -1.037 . . . . 0.0 109.971 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.3 -33.18 15.43 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.153 -0.967 . . . . 0.0 110.758 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 94.9 m-85 -111.05 2.77 18.14 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.281 -0.887 . . . . 0.0 112.003 -177.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' B' ' 85' ' ' CYS . 6.6 tp . . . . . 0 N--CA 1.502 2.165 0 O-C-N 120.77 -1.206 . . . . 0.0 109.219 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 2' ' ' THR . 8.5 t -104.99 120.11 40.66 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.46 -0.775 . . . . 0.0 109.672 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -81.57 160.02 23.95 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.18 -0.95 . . . . 0.0 109.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.4 p -70.08 160.36 32.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.341 -0.849 . . . . 0.0 109.204 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.94 -24.9 64.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.605 -0.684 . . . . 0.0 110.515 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -60.94 -39.07 88.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.888 -1.133 . . . . 0.0 109.78 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.512 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.8 t60 -58.45 -49.97 75.4 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.964 -1.085 . . . . 0.0 110.089 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 83.9 mtm180 -69.97 -32.72 71.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.251 -0.906 . . . . 0.0 110.302 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.34 -39.94 95.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.092 -1.005 . . . . 0.0 108.556 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -61.42 -52.39 64.75 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 119.759 -0.777 . . . . 0.0 109.92 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' CA ' ' A' ' 84' ' ' TRP . 27.2 m -88.79 5.79 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.238 -0.914 . . . . 0.0 111.959 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 8' ' ' ARG . . . -99.51 -21.0 16.12 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.881 -1.137 . . . . 0.0 109.359 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.87 152.02 36.21 Favored Pre-proline 0 N--CA 1.489 1.51 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -41.21 159.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.592 1.528 . . . . 0.0 111.099 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.4 ptp -87.42 -23.85 24.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.869 -1.144 . . . . 0.0 108.837 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.91 -141.53 14.6 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -103.77 30.09 5.34 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.923 . . . . 0.0 110.41 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -60.01 147.97 78.6 Favored Pre-proline 0 N--CA 1.489 1.516 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.9 153.97 75.9 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.557 2.171 . . . . 0.0 113.573 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.49 -32.27 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.33 0.586 . . . . 0.0 110.367 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.39 -4.43 51.24 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -83.52 -18.81 37.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.858 -1.378 . . . . 0.0 109.336 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 81' ' ' LEU . 91.6 mt -63.4 134.16 55.24 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.298 -0.876 . . . . 0.0 109.778 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 134.03 54.36 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.688 0.756 . . . . 0.0 109.874 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.72 -19.4 52.52 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -99.03 118.78 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.15 -1.206 . . . . 0.0 108.466 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.53 175.38 39.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.06 -40.05 80.01 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.412 -1.052 . . . . 0.0 111.05 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.68 -41.48 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.754 -1.216 . . . . 0.0 109.356 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.02 -37.32 83.92 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.05 96.47 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.99 -40.07 96.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.381 -1.07 . . . . 0.0 110.707 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.04 -43.01 79.7 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.549 -1.344 . . . . 0.0 110.13 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.56 -39.01 89.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.893 -1.13 . . . . 0.0 108.429 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.91 -41.14 91.05 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.384 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -67.26 -19.59 65.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 108.686 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -90.64 1.91 56.37 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.52 -0.738 . . . . 0.0 109.863 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.44 39.02 4.06 Favored Glycine 0 N--CA 1.498 2.808 0 C-N-CA 120.194 -1.003 . . . . 0.0 110.952 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -133.16 71.41 1.47 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.989 -1.301 . . . . 0.0 108.687 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -80.99 -13.17 59.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.195 -0.941 . . . . 0.0 110.409 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -130.07 151.04 51.05 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.273 -0.892 . . . . 0.0 109.589 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.0 93.3 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.582 -0.699 . . . . 0.0 111.405 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -58.28 -19.15 32.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.597 -1.314 . . . . 0.0 110.765 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -78.09 -32.58 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.0 t -75.95 -36.32 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.478 HD22 ' CE ' ' A' ' 15' ' ' MET . 23.8 tp -59.92 -38.24 81.78 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.92 -42.45 98.24 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.95 -43.6 94.91 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.911 -1.347 . . . . 0.0 108.843 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.98 -40.31 88.69 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.432 -0.792 . . . . 0.0 109.101 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.13 -37.77 81.48 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.89 -29.25 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.466 -0.771 . . . . 0.0 110.445 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.66 11.84 10.02 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.015 . . . . 0.0 110.296 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 mttp 47.93 38.7 9.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.793 -1.192 . . . . 0.0 109.957 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 60.02 20.64 9.77 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.667 -0.646 . . . . 0.0 110.706 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.25 105.52 2.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.454 -1.404 . . . . 0.0 108.18 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -64.44 -40.04 94.98 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.462 -0.773 . . . . 0.0 112.349 -178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -69.26 -39.3 78.53 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.708 -1.245 . . . . 0.0 110.216 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.98 -37.81 75.85 Favored 'General case' 0 C--N 1.292 -1.912 0 C-N-CA 119.239 -0.984 . . . . 0.0 109.27 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -63.85 -43.64 95.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.89 -47.72 84.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 110.999 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.44 -39.68 94.14 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.674 -1.266 . . . . 0.0 109.074 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -64.5 -47.98 76.88 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 111.5 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.19 -46.2 71.32 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.053 -1.03 . . . . 0.0 110.913 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.84 -42.06 95.23 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.012 -1.055 . . . . 0.0 109.762 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -70.02 -31.76 69.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.496 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.0 m -76.89 -36.84 56.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.427 -0.796 . . . . 0.0 111.147 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.2 p -131.92 -36.75 1.18 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.648 -1.282 . . . . 0.0 111.859 -178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 114.29 18.47 6.68 Favored Glycine 0 N--CA 1.503 3.116 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.59 152.14 5.34 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.078 -1.248 . . . . 0.0 110.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -90.95 169.97 10.45 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.235 -0.916 . . . . 0.0 109.791 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.98 70.42 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.469 -0.769 . . . . 0.0 111.003 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.04 -41.62 74.0 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.734 -1.229 . . . . 0.0 110.08 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.17 -37.02 83.02 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.4 -0.813 . . . . 0.0 110.603 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.2 t -67.12 -37.71 84.32 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.986 -1.071 . . . . 0.0 110.088 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -59.89 -38.96 83.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.887 -1.133 . . . . 0.0 109.582 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -67.02 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.801 -1.187 . . . . 0.0 110.535 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.94 -40.01 79.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.725 -1.234 . . . . 0.0 110.496 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.24 -60.43 3.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.681 -1.262 . . . . 0.0 110.193 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.88 -31.69 72.81 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.24 -51.04 41.57 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.104 -1.233 . . . . 0.0 109.977 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 23' ' ' LEU . 88.2 mt -70.72 -40.24 72.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.864 -1.148 . . . . 0.0 109.774 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.39 -42.19 99.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.123 -0.986 . . . . 0.0 110.651 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 98.4 mt-10 -70.0 -36.09 74.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.048 -1.033 . . . . 0.0 110.584 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.554 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 79.0 t90 -58.92 -39.69 82.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.39 -1.444 . . . . 0.0 107.828 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.41 ' O ' ' OXT' ' A' ' 89' ' ' LEU . 63.2 m -61.51 -39.95 92.84 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.25 -37.46 83.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.558 -0.714 . . . . 0.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.2 -40.08 14.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.068 -1.02 . . . . 0.0 110.588 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 -103.93 -85.9 0.46 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.201 -0.937 . . . . 0.0 110.213 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' OXT' ' O ' ' A' ' 85' ' ' CYS . 20.1 tp . . . . . 0 N--CA 1.494 1.756 0 O-C-N 120.907 -1.121 . . . . 0.0 109.256 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.526 ' O ' HG23 ' B' ' 2' ' ' THR . 8.3 t -104.91 120.03 40.46 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.425 -0.797 . . . . 0.0 109.706 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 78.9 p -81.73 160.01 23.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.216 -0.928 . . . . 0.0 109.902 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.5 p -70.03 160.32 32.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 0.0 109.27 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -59.9 -25.01 64.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.677 -0.639 . . . . 0.0 110.559 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.81 -39.09 87.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.897 -1.127 . . . . 0.0 109.763 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.507 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.8 t60 -58.42 -49.98 75.33 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.069 -1.019 . . . . 0.0 110.113 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 83.9 mtm180 -69.98 -32.8 71.19 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.22 -39.99 96.18 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.143 -0.973 . . . . 0.0 108.611 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -61.33 -52.45 64.64 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.999 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' B' ' 84' ' ' TRP . 27.2 m -88.64 5.47 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.248 -0.908 . . . . 0.0 111.967 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 8' ' ' ARG . . . -99.28 -20.96 16.29 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.893 -1.13 . . . . 0.0 109.292 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.84 152.07 36.41 Favored Pre-proline 0 C--N 1.302 -1.479 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.2 158.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.581 1.521 . . . . 0.0 111.026 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.4 ptp -87.39 -23.79 24.43 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.898 -1.126 . . . . 0.0 108.787 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.94 -141.38 15.06 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -104.07 30.08 5.46 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.556 -0.967 . . . . 0.0 110.3 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -59.98 147.89 78.66 Favored Pre-proline 0 N--CA 1.49 1.53 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.9 153.98 75.88 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.538 2.159 . . . . 0.0 113.554 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.45 -32.3 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-O 121.347 0.594 . . . . 0.0 110.467 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.3 -4.64 51.54 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -83.27 -18.92 37.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.95 -1.323 . . . . 0.0 109.396 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.479 HD22 HD21 ' B' ' 81' ' ' LEU . 91.1 mt -63.31 134.15 55.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 109.829 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.81 134.05 54.54 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.55 0.691 . . . . 0.0 109.92 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.82 -19.59 51.59 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.13 118.95 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.532 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.67 175.46 38.82 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.17 -39.99 80.28 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.379 -1.071 . . . . 0.0 111.085 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.7 t -68.57 -41.45 82.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 120.732 -1.23 . . . . 0.0 109.525 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.16 -37.24 83.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 109.497 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.06 -39.92 96.39 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.16 -39.69 95.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.203 -1.175 . . . . 0.0 110.776 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.27 -42.94 78.84 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.581 -1.325 . . . . 0.0 110.134 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.65 -39.04 89.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.919 -1.113 . . . . 0.0 108.329 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.03 -40.95 91.11 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.378 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -67.3 -19.64 65.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.255 -0.903 . . . . 0.0 108.771 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -90.45 1.64 56.44 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.54 -0.725 . . . . 0.0 109.867 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.61 39.01 4.02 Favored Glycine 0 N--CA 1.5 2.903 0 O-C-N 121.119 -0.988 . . . . 0.0 110.962 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -133.08 71.32 1.47 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.964 -1.315 . . . . 0.0 108.759 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -80.73 -13.3 59.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.0 110.475 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.95 151.0 50.99 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.171 -0.956 . . . . 0.0 109.621 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.92 93.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.602 -0.687 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -58.32 -18.79 29.79 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.737 -1.227 . . . . 0.0 110.862 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.3 -32.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.96 -36.29 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 23.9 tp -60.06 -38.03 81.63 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.99 -42.34 98.29 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -59.99 -43.72 94.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.852 -1.381 . . . . 0.0 108.838 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -60.01 -40.34 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.514 -0.742 . . . . 0.0 109.096 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.11 -37.7 81.44 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.04 -29.22 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.396 -0.815 . . . . 0.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 87.3 mt -85.58 11.59 10.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 48.18 38.46 9.99 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.757 -1.214 . . . . 0.0 110.053 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 59.98 21.08 10.15 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.644 -0.66 . . . . 0.0 110.692 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.49 105.14 2.11 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.468 -1.395 . . . . 0.0 108.141 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -64.07 -40.11 95.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.407 -0.808 . . . . 0.0 112.318 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.27 -39.46 78.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.795 -1.191 . . . . 0.0 110.178 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.98 -37.85 75.85 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 119.272 -0.971 . . . . 0.0 109.2 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -63.75 -43.65 95.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 109.801 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -59.96 -47.27 86.48 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.328 -0.857 . . . . 0.0 111.101 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.86 -39.72 95.3 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.568 -1.333 . . . . 0.0 108.968 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' B' ' 66' ' ' THR . 70.5 t90 -64.4 -48.05 76.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 0.0 111.438 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.8 tp -68.21 -46.0 71.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.002 -1.061 . . . . 0.0 110.918 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.91 -42.1 95.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.943 -1.098 . . . . 0.0 109.761 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.91 -32.09 70.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.452 -0.78 . . . . 0.0 109.38 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 93.3 m -76.62 -37.18 56.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.395 -0.815 . . . . 0.0 111.177 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.1 p -131.75 -36.49 1.22 Allowed 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.674 -1.266 . . . . 0.0 111.914 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.464 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 114.15 18.39 6.79 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.53 152.09 5.26 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.097 -1.237 . . . . 0.0 110.068 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.98 170.09 10.34 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.709 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -32.01 70.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.462 -0.774 . . . . 0.0 110.947 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -70.12 -41.49 73.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.687 -1.258 . . . . 0.0 110.091 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -67.08 -37.24 83.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.338 -0.851 . . . . 0.0 110.618 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.3 t -66.89 -37.7 84.88 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.092 -1.005 . . . . 0.0 110.222 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -60.05 -39.04 84.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.437 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.93 -39.85 87.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 120.758 -1.214 . . . . 0.0 110.528 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.4 m -68.93 -40.02 79.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.715 -1.241 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.11 -60.59 3.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.654 -1.279 . . . . 0.0 110.162 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -31.75 72.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.8 t -69.03 -51.08 42.8 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.048 -1.266 . . . . 0.0 110.02 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.479 HD21 HD22 ' B' ' 23' ' ' LEU . 88.4 mt -70.69 -40.44 72.9 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.756 179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -62.18 -42.28 99.13 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.068 -1.02 . . . . 0.0 110.635 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.507 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 98.5 mt-10 -69.91 -36.17 75.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.037 -1.039 . . . . 0.0 110.657 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.567 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 79.3 t90 -58.95 -39.66 82.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.318 -1.489 . . . . 0.0 107.768 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 63.4 m -61.54 -40.07 93.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.92 -37.85 83.72 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.472 -0.768 . . . . 0.0 110.363 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -39.88 15.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.076 -1.015 . . . . 0.0 110.606 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.567 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.4 m-85 -103.97 -85.78 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.907 -1.121 . . . . 0.0 109.15 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.279 0.562 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.9 m -74.86 130.43 39.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 109.42 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -70.51 157.36 38.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.242 -0.911 . . . . 0.0 109.647 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.2 m -83.77 170.34 14.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.378 -0.826 . . . . 0.0 109.764 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.29 -19.68 64.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 110.31 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.71 -38.07 89.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.962 -1.086 . . . . 0.0 110.234 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -58.9 -50.16 75.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.992 -1.068 . . . . 0.0 110.065 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' A' ' 8' ' ' ARG . 21.8 mmm-85 -69.96 -33.26 71.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.243 -0.911 . . . . 0.0 110.042 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -70.12 -38.83 75.69 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -65.28 -45.28 85.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 110.074 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.104 -0.997 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.37 -11.47 15.53 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.406 -0.809 . . . . 0.0 110.607 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -153.98 151.85 25.52 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.766 -1.209 . . . . 0.0 109.336 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -40.16 162.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.258 0 C-N-CA 121.956 1.77 . . . . 0.0 111.854 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.534 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.8 ptp -89.84 -25.99 20.76 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.142 -0.974 . . . . 0.0 109.481 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.87 -138.77 29.56 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.53 29.67 6.34 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.49 -1.006 . . . . 0.0 110.366 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -60.86 149.53 80.21 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.976 -1.078 . . . . 0.0 108.703 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.07 156.83 64.6 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.399 2.066 . . . . 0.0 112.8 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 21' ' ' GLY . 4.4 p -55.14 -44.64 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.749 -0.595 . . . . 0.0 110.63 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -56.39 -4.24 0.8 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 20' ' ' VAL . 67.6 m -80.99 -20.59 41.49 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.758 -1.436 . . . . 0.0 109.446 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.21 136.64 57.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.184 -0.948 . . . . 0.0 110.012 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 136.94 57.43 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.21 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.91 -18.01 56.46 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.9 117.01 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.364 -1.08 . . . . 0.0 108.093 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.06 174.34 38.76 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.05 -40.14 80.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.342 -1.093 . . . . 0.0 110.586 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -42.02 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.829 -1.169 . . . . 0.0 109.528 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.49 -38.15 83.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.294 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.94 -37.2 92.27 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.85 -40.02 95.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.359 -1.083 . . . . 0.0 110.658 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.63 -44.04 83.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.544 -1.347 . . . . 0.0 109.689 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.6 -40.04 95.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.912 -1.117 . . . . 0.0 109.236 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.11 -41.58 96.95 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.652 -0.655 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -67.08 -21.96 65.85 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.162 -0.961 . . . . 0.0 109.624 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.11 2.41 55.31 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.192 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.61 3.85 32.42 Favored Glycine 0 N--CA 1.506 3.342 0 O-C-N 120.832 -1.168 . . . . 0.0 112.105 177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.09 74.51 1.21 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.731 -1.452 . . . . 0.0 108.852 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 -80.14 -10.74 59.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.705 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -137.03 158.17 45.07 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.966 -1.084 . . . . 0.0 110.459 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.45 -40.55 89.48 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.79 -18.75 34.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.219 -1.551 . . . . 0.0 110.99 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.3 t -79.15 -35.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.556 -1.34 . . . . 0.0 107.926 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.7 t -75.07 -39.4 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD22 ' CE ' ' A' ' 15' ' ' MET . 54.2 tp -59.97 -39.02 84.24 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.57 -43.83 53.32 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.12 -40.89 91.27 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.211 -1.17 . . . . 0.0 108.862 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -60.4 -39.9 88.99 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.211 -0.93 . . . . 0.0 108.526 179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' B' ' 50' ' ' LEU . 73.6 mt -67.36 -39.75 85.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.78 -31.18 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.432 -0.792 . . . . 0.0 110.597 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.55 15.55 7.85 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 110.097 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 48.06 39.35 11.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.939 -1.101 . . . . 0.0 110.296 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.8 mttp 60.06 20.01 9.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.456 -0.777 . . . . 0.0 110.66 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -67.38 114.31 5.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.646 -1.284 . . . . 0.0 108.187 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -64.99 -42.66 94.31 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.0 m-20 -69.97 -40.03 75.63 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.446 -1.409 . . . . 0.0 110.678 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.74 -38.86 76.98 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 118.914 -1.115 . . . . 0.0 109.034 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.64 -49.97 71.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.175 -0.953 . . . . 0.0 109.954 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 82.4 mtm180 -60.05 -43.77 95.15 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.249 -0.907 . . . . 0.0 110.491 -178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.59 -37.48 87.47 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.958 -1.089 . . . . 0.0 108.929 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.405 ' O ' ' OG1' ' A' ' 66' ' ' THR . 67.1 t90 -63.92 -47.32 81.0 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.435 -0.791 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.26 -48.29 65.47 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 110.572 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.1 -47.29 86.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.156 -0.965 . . . . 0.0 109.914 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 30.9 t0 -69.22 -29.74 67.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.526 -0.734 . . . . 0.0 109.563 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 51.0 m -78.8 -35.21 44.64 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 0.0 111.137 -178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.42 -28.95 2.04 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.651 -1.281 . . . . 0.0 111.973 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.12 14.6 22.16 Favored Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.87 1.64 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.159 -1.2 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -90.67 172.43 8.67 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.059 -1.026 . . . . 0.0 110.203 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.53 75.27 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.645 -0.659 . . . . 0.0 110.468 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.07 -40.37 71.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.786 -1.196 . . . . 0.0 109.742 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.68 -38.36 83.61 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.398 -0.814 . . . . 0.0 110.422 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.2 p -66.42 -38.55 87.7 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.062 -1.024 . . . . 0.0 110.275 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -60.01 -37.08 78.67 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.858 -1.151 . . . . 0.0 109.467 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -68.0 -38.8 83.06 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.769 -1.207 . . . . 0.0 110.448 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.9 m -68.4 -39.94 81.47 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.805 -1.184 . . . . 0.0 109.908 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -59.99 -60.9 3.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.807 -1.183 . . . . 0.0 110.147 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.16 -33.05 82.76 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.0 t -69.81 -48.96 57.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -1.183 . . . . 0.0 109.983 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.99 -40.04 75.56 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 118.912 -1.115 . . . . 0.0 108.763 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -61.9 -39.99 93.87 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.165 -0.96 . . . . 0.0 109.897 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -69.04 -39.0 79.46 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 110.409 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.613 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 84.8 t90 -60.7 -44.59 96.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.37 -1.456 . . . . 0.0 108.495 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.428 ' O ' ' OXT' ' A' ' 89' ' ' LEU . 57.2 m -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.425 -0.797 . . . . 0.0 109.923 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.62 -32.73 70.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 110.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.16 -33.22 14.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.195 -0.941 . . . . 0.0 111.378 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.613 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.9 m-85 -111.79 0.12 16.11 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.192 -0.942 . . . . 0.0 112.617 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.428 ' OXT' ' O ' ' A' ' 85' ' ' CYS . 11.4 tp . . . . . 0 N--CA 1.503 2.187 0 O-C-N 120.614 -1.304 . . . . 0.0 109.09 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.265 0.555 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 25.0 m -74.69 130.46 39.54 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.278 -0.888 . . . . 0.0 109.468 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -70.53 157.31 38.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.712 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.6 m -83.68 170.21 14.49 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -63.23 -19.67 64.74 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.674 -0.642 . . . . 0.0 110.381 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.76 -38.1 89.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.001 -1.062 . . . . 0.0 110.203 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -58.76 -50.13 75.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.896 -1.128 . . . . 0.0 110.151 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.429 ' HG3' HH11 ' B' ' 8' ' ' ARG . 21.8 mmm-85 -70.04 -33.2 71.66 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.17 -0.956 . . . . 0.0 110.022 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.06 -38.91 75.91 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.334 -0.854 . . . . 0.0 110.093 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -65.26 -45.19 85.54 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.264 -0.897 . . . . 0.0 110.036 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 12.37 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 109.803 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.57 -11.23 15.51 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.413 -0.804 . . . . 0.0 110.61 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.07 151.73 25.14 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 120.882 -1.136 . . . . 0.0 109.357 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -40.24 162.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.214 0 C-N-CA 121.929 1.753 . . . . 0.0 111.888 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.537 ' CE ' HD22 ' B' ' 46' ' ' LEU . 4.8 ptp -89.87 -25.65 20.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.255 -0.903 . . . . 0.0 109.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.45 -138.8 27.71 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.34 29.63 6.3 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.456 -1.026 . . . . 0.0 110.426 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -60.72 149.43 79.54 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 108.755 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -66.87 156.75 64.72 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.468 2.112 . . . . 0.0 112.885 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.469 HG13 ' N ' ' B' ' 21' ' ' GLY . 4.3 p -55.06 -44.83 76.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.636 -0.665 . . . . 0.0 110.562 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.469 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -56.22 -4.19 0.74 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.427 ' H ' ' C ' ' B' ' 20' ' ' VAL . 67.0 m -81.19 -20.52 41.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.822 -1.399 . . . . 0.0 109.395 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 136.7 57.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.951 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.89 136.9 57.37 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 119.696 -0.802 . . . . 0.0 109.241 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.84 -17.75 56.9 Favored Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 35.8 mm -99.02 116.9 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.308 -1.113 . . . . 0.0 108.103 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.95 174.23 38.82 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -57.87 -40.35 79.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -1.142 . . . . 0.0 110.55 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.66 -41.95 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.78 -1.2 . . . . 0.0 109.582 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.38 -38.24 84.42 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 109.323 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.31 92.47 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -63.64 -39.9 95.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.49 -1.006 . . . . 0.0 110.744 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.72 -44.0 82.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.584 -1.323 . . . . 0.0 109.835 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.53 -40.11 95.74 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.852 -1.155 . . . . 0.0 109.225 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.4 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.87 -22.05 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.229 -0.919 . . . . 0.0 109.559 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -90.1 2.54 55.15 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.286 -0.884 . . . . 0.0 111.244 -178.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.44 3.99 32.77 Favored Glycine 0 N--CA 1.506 3.355 0 O-C-N 120.907 -1.121 . . . . 0.0 112.127 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -104.22 74.46 1.19 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.729 -1.454 . . . . 0.0 108.854 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -80.06 -10.69 59.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.415 -0.803 . . . . 0.0 110.782 -178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -137.06 158.18 45.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.02 -1.05 . . . . 0.0 110.523 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.67 89.84 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -58.69 -18.93 35.22 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.279 -1.513 . . . . 0.0 110.998 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.95 -35.06 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.635 -1.29 . . . . 0.0 107.942 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.15 -39.34 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.537 HD22 ' CE ' ' B' ' 15' ' ' MET . 54.4 tp -59.96 -39.14 84.59 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.34 -43.95 52.08 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.07 -40.85 90.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.217 -1.167 . . . . 0.0 108.815 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -60.46 -39.74 88.66 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.456 HD12 HD12 ' A' ' 50' ' ' LEU . 73.9 mt -67.45 -39.88 85.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.74 -31.03 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.425 -0.797 . . . . 0.0 110.548 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 93.7 mt -88.74 15.86 7.62 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.128 -0.982 . . . . 0.0 110.049 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 47.78 39.33 10.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.934 -1.104 . . . . 0.0 110.328 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 60.0 19.99 9.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.436 -0.79 . . . . 0.0 110.69 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.28 114.41 5.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.548 -1.345 . . . . 0.0 108.203 178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -65.05 -42.66 94.04 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.47 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 95.9 m-20 -70.01 -39.97 75.53 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.564 -1.335 . . . . 0.0 110.64 -178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.87 -38.83 76.54 Favored 'General case' 0 C--N 1.289 -2.045 0 C-N-CA 118.886 -1.126 . . . . 0.0 109.017 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -63.59 -49.92 71.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 110.04 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.47 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 82.4 mtm180 -60.04 -43.9 95.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.229 -0.919 . . . . 0.0 110.474 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.43 -37.48 87.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.945 -1.097 . . . . 0.0 108.93 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -64.11 -47.15 81.11 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.487 -0.758 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.31 -48.27 65.38 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 110.539 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -61.11 -47.08 87.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.136 -0.977 . . . . 0.0 109.905 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 38.4 t0 -69.59 -29.57 67.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.452 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 49.9 m -78.78 -35.27 44.7 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 111.094 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.35 -29.18 2.03 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 120.684 -1.26 . . . . 0.0 111.952 -177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.15 14.77 21.7 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.93 153.8 1.68 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.099 -1.236 . . . . 0.0 109.447 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -90.64 172.4 8.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.992 -1.068 . . . . 0.0 110.146 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.43 75.11 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.566 -0.709 . . . . 0.0 110.362 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -71.21 -40.36 71.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.762 -1.211 . . . . 0.0 109.765 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -67.64 -38.41 83.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.446 -0.784 . . . . 0.0 110.45 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 24.0 p -66.35 -38.61 88.0 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.176 -0.952 . . . . 0.0 110.233 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -60.02 -37.09 78.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.832 -1.167 . . . . 0.0 109.508 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.0 -38.8 83.08 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.7 -1.25 . . . . 0.0 110.414 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 94.2 m -68.35 -39.97 81.66 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 120.726 -1.234 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -60.1 -60.77 3.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.821 -1.174 . . . . 0.0 110.196 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.03 82.89 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -69.61 -49.16 56.63 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.128 -1.219 . . . . 0.0 109.97 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.93 -39.98 75.81 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.896 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -61.8 -40.0 93.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.3 -0.875 . . . . 0.0 109.929 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -69.11 -39.03 79.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.149 -0.969 . . . . 0.0 110.364 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.607 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 84.8 t90 -60.73 -44.55 96.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.389 -1.444 . . . . 0.0 108.535 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' B' ' 89' ' ' LEU . 56.8 m -60.03 -39.97 87.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.48 -0.762 . . . . 0.0 109.888 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.68 -32.76 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.267 -0.895 . . . . 0.0 110.066 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.13 -33.3 14.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.243 -0.91 . . . . 0.0 111.371 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.607 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.2 m-85 -111.72 0.03 16.14 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 121.256 -0.902 . . . . 0.0 112.58 -177.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 85' ' ' CYS . 10.6 tp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 120.726 -1.233 . . . . 0.0 109.292 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m 46.41 24.19 0.28 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.9 p -59.94 139.96 57.04 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.103 -0.998 . . . . 0.0 109.314 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.7 p -79.98 170.05 17.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.869 . . . . 0.0 109.577 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.445 ' H ' ' NE2' ' A' ' 5' ' ' GLN . 3.2 mp0 -62.09 -18.98 62.45 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.559 -0.713 . . . . 0.0 110.201 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.53 -38.63 85.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.928 -1.108 . . . . 0.0 109.75 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.509 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 71.0 t60 -59.39 -51.02 71.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.097 -1.002 . . . . 0.0 110.847 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -69.9 -31.98 70.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.9 -1.125 . . . . 0.0 109.883 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -70.43 -39.94 74.09 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.453 -0.779 . . . . 0.0 110.135 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.68 -43.32 84.78 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.198 -0.939 . . . . 0.0 110.504 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.0 14.63 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.914 -1.116 . . . . 0.0 109.445 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.23 -11.09 12.02 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.538 -0.726 . . . . 0.0 110.76 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.81 152.45 27.01 Favored Pre-proline 0 N--CA 1.497 1.901 0 O-C-N 120.821 -1.175 . . . . 0.0 109.282 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -41.98 161.43 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.917 1.745 . . . . 0.0 112.087 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.511 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.88 -20.62 22.05 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.21 -0.931 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.79 -140.53 15.77 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -105.15 28.34 7.36 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.511 -0.993 . . . . 0.0 110.22 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -60.81 148.52 82.68 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 120.852 -1.155 . . . . 0.0 108.488 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.9 156.48 61.98 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.408 2.072 . . . . 0.0 112.473 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.4 p -54.26 -43.95 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.633 -0.667 . . . . 0.0 110.39 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.514 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.97 -4.57 0.45 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . 52.5 m -81.86 -19.71 40.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.707 -1.466 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.94 136.75 57.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.86 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 136.03 56.65 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 119.869 -0.733 . . . . 0.0 109.649 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.64 -16.26 58.93 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -99.14 117.57 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.188 -1.184 . . . . 0.0 108.208 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.59 173.18 36.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.28 -40.01 73.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.409 -1.053 . . . . 0.0 110.664 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.03 -41.62 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.902 -1.124 . . . . 0.0 109.733 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.41 -38.25 84.33 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.265 -0.897 . . . . 0.0 109.66 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.09 -37.84 93.43 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -65.84 -39.92 91.27 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.299 -1.118 . . . . 0.0 110.951 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -66.96 -42.51 85.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.656 -1.278 . . . . 0.0 109.532 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.64 -39.9 95.51 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.033 -1.042 . . . . 0.0 109.276 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.0 -40.2 88.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.665 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.11 -19.29 65.61 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 109.008 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.17 2.46 56.33 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.437 -0.789 . . . . 0.0 110.519 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.62 5.91 44.59 Favored Glycine 0 N--CA 1.503 3.145 0 O-C-N 121.052 -1.03 . . . . 0.0 111.924 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.68 73.91 1.11 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.731 -1.452 . . . . 0.0 109.018 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -81.81 -12.52 58.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 109.898 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.3 151.39 50.86 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.19 90.58 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.413 -0.804 . . . . 0.0 112.022 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -58.37 -19.28 34.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.545 -1.347 . . . . 0.0 110.69 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -79.18 -32.95 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.676 -1.265 . . . . 0.0 107.744 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.86 -38.76 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.511 HD22 ' HE3' ' A' ' 15' ' ' MET . 46.6 tp -59.92 -37.06 78.37 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.71 -40.88 95.44 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.14 -45.29 93.54 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.035 -1.273 . . . . 0.0 109.556 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 108.688 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.2 -39.14 82.51 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.8 -0.76 . . . . 0.0 108.99 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.96 -25.73 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.279 -0.888 . . . . 0.0 110.503 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.09 16.6 6.91 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.038 -1.039 . . . . 0.0 109.443 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.3 33.4 7.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.985 -1.072 . . . . 0.0 109.899 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.69 20.79 10.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.403 -0.811 . . . . 0.0 110.453 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -66.37 114.76 5.65 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.66 -1.275 . . . . 0.0 107.878 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.46 -41.24 96.63 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.3 -0.875 . . . . 0.0 112.405 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.22 -40.03 78.22 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.555 -1.341 . . . . 0.0 109.784 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.98 -40.05 75.57 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 119.237 -0.985 . . . . 0.0 109.149 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -64.96 -50.04 67.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.193 -0.942 . . . . 0.0 109.673 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -60.03 -46.32 89.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.39 -0.819 . . . . 0.0 110.786 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.81 -36.23 82.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.832 -1.168 . . . . 0.0 108.836 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.421 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.0 t90 -64.09 -46.61 83.47 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.389 -0.819 . . . . 0.0 111.102 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -70.13 -50.69 38.05 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.003 -1.061 . . . . 0.0 110.326 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.25 -47.04 87.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.036 -1.04 . . . . 0.0 110.019 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.79 65.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 0.0 109.728 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 49.0 m -81.05 -33.44 33.48 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.189 -0.945 . . . . 0.0 111.622 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 p -131.47 -28.4 1.86 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.414 -1.429 . . . . 0.0 112.059 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.86 14.31 21.45 Favored Glycine 0 N--CA 1.499 2.852 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 153.25 2.39 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.986 -1.302 . . . . 0.0 109.021 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -90.26 171.44 9.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 110.273 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -34.81 73.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.714 -0.616 . . . . 0.0 110.168 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.32 -41.57 73.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.924 -1.11 . . . . 0.0 109.772 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.6 -39.98 84.78 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.325 -0.859 . . . . 0.0 110.535 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.0 m -64.71 -39.98 94.57 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.108 -0.995 . . . . 0.0 110.692 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.37 -37.32 80.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.762 -1.211 . . . . 0.0 110.187 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -67.46 -39.95 85.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.636 -1.29 . . . . 0.0 111.032 -178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.86 -39.96 79.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.888 -1.133 . . . . 0.0 110.855 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -57.44 -60.59 3.42 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.537 -1.352 . . . . 0.0 110.098 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.24 -30.66 71.36 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 46.3 t -69.02 -51.32 40.42 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -1.205 . . . . 0.0 109.796 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.17 -40.44 71.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.01 -1.056 . . . . 0.0 109.371 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.34 -40.68 95.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.145 -0.972 . . . . 0.0 109.798 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 93.6 mt-10 -69.98 -37.75 75.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 110.515 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -62.71 -43.7 98.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.599 -1.313 . . . . 0.0 109.185 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.0 m -60.95 -40.02 91.75 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.292 -0.88 . . . . 0.0 110.175 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.32 -28.11 67.87 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.707 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.66 12.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.25 -0.906 . . . . 0.0 111.295 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.8 m-85 -111.55 -9.66 14.17 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.506 2.359 0 O-C-N 120.247 -1.533 . . . . 0.0 109.348 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m 46.24 24.35 0.27 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.319 -0.863 . . . . 0.0 109.531 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -60.01 139.96 57.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.6 p -80.05 170.01 17.06 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.326 -0.858 . . . . 0.0 109.553 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.434 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 3.2 mp0 -61.94 -18.98 62.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.726 -0.609 . . . . 0.0 110.22 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.53 -38.47 84.55 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.934 -1.104 . . . . 0.0 109.816 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.508 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 71.0 t60 -59.65 -50.92 72.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.149 -0.97 . . . . 0.0 110.823 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -70.04 -31.81 69.63 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.919 -1.113 . . . . 0.0 109.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.56 -39.88 73.68 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.594 -0.691 . . . . 0.0 110.016 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -66.69 -43.34 84.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.189 -0.944 . . . . 0.0 110.498 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 m -83.02 14.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.949 -1.095 . . . . 0.0 109.394 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.45 -11.15 11.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.576 -0.703 . . . . 0.0 110.723 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -153.73 152.48 27.2 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 120.889 -1.132 . . . . 0.0 109.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -42.06 161.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.913 1.742 . . . . 0.0 112.116 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.51 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.2 ptp -90.96 -20.42 22.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.235 -0.916 . . . . 0.0 109.403 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.47 -140.62 13.91 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -105.04 28.51 7.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.456 -1.026 . . . . 0.0 110.23 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -61.09 148.57 84.26 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 120.875 -1.141 . . . . 0.0 108.458 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.0 156.46 62.49 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.36 2.04 . . . . 0.0 112.53 -178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.4 p -54.35 -43.72 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.586 -0.697 . . . . 0.0 110.409 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -55.18 -4.33 0.47 Allowed Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.439 ' H ' ' C ' ' B' ' 20' ' ' VAL . 52.5 m -81.99 -19.92 39.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.717 -1.461 . . . . 0.0 109.248 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.84 136.72 57.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.175 -0.953 . . . . 0.0 109.781 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.57 136.11 56.68 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.661 0.743 . . . . 0.0 109.619 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.56 -16.31 58.96 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -99.09 117.52 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.129 -1.218 . . . . 0.0 108.221 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.44 173.16 36.9 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -56.4 -39.99 73.92 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -1.069 . . . . 0.0 110.674 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.98 -41.64 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.864 -1.147 . . . . 0.0 109.815 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.3 -38.38 84.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.324 -0.86 . . . . 0.0 109.625 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -37.95 93.51 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -65.67 -40.04 91.96 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.252 -1.146 . . . . 0.0 110.923 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -66.82 -42.49 85.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.673 -1.267 . . . . 0.0 109.619 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.75 -39.79 95.13 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.306 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.98 -40.26 88.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.756 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -67.03 -19.31 65.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.272 -0.893 . . . . 0.0 108.998 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -91.22 2.71 56.16 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.519 -0.738 . . . . 0.0 110.528 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.35 5.93 45.36 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 121.027 -1.046 . . . . 0.0 111.922 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -104.82 73.92 1.1 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.699 -1.471 . . . . 0.0 109.0 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 30.2 p-10 -81.91 -12.36 58.46 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.982 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -130.45 151.35 51.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 109.597 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.07 90.09 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.425 -0.797 . . . . 0.0 112.008 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -58.37 -19.4 35.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.447 -1.408 . . . . 0.0 110.638 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -79.13 -32.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.628 -1.295 . . . . 0.0 107.775 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.01 -38.66 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.51 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.5 tp -59.92 -37.35 79.21 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.36 -41.11 94.97 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -60.07 -45.27 93.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.136 -1.214 . . . . 0.0 109.412 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.02 -39.94 87.58 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.856 . . . . 0.0 108.752 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.17 -39.22 82.63 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.018 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 49.2 t -66.89 -25.58 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.221 -0.924 . . . . 0.0 110.627 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 99.6 mt -89.26 16.8 6.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.953 -1.092 . . . . 0.0 109.469 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 50.0 33.57 6.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.025 . . . . 0.0 110.004 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 60.73 20.45 10.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.464 -0.773 . . . . 0.0 110.461 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -66.13 114.83 5.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.708 -1.245 . . . . 0.0 107.805 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -64.45 -41.37 96.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.266 -0.896 . . . . 0.0 112.462 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -69.09 -39.99 78.7 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.516 -1.365 . . . . 0.0 109.803 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.05 -40.0 75.36 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.319 -0.952 . . . . 0.0 109.173 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.0 -50.03 67.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.265 -0.897 . . . . 0.0 109.666 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -60.07 -46.49 89.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.417 -0.802 . . . . 0.0 110.777 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -62.74 -36.06 81.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.888 -1.133 . . . . 0.0 108.768 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.426 ' O ' ' OG1' ' B' ' 66' ' ' THR . 67.7 t90 -64.3 -46.45 83.53 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.491 -0.756 . . . . 0.0 111.081 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.3 tp -70.15 -50.73 37.47 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.049 -1.032 . . . . 0.0 110.308 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.22 -47.09 87.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.107 -0.995 . . . . 0.0 110.034 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.46 -27.81 65.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.331 -0.855 . . . . 0.0 109.772 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 48.8 m -81.01 -33.39 33.67 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.204 -0.935 . . . . 0.0 111.732 -178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -131.34 -28.66 1.87 Allowed 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.463 -1.398 . . . . 0.0 112.078 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.05 14.45 20.74 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.58 153.37 2.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.004 -1.292 . . . . 0.0 108.993 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -90.33 171.36 9.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.052 -1.03 . . . . 0.0 110.256 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.6 73.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.705 -0.622 . . . . 0.0 110.134 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -70.39 -41.63 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.876 -1.14 . . . . 0.0 109.768 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.64 -40.02 84.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.264 -0.898 . . . . 0.0 110.468 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -64.54 -40.02 94.82 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.065 -1.022 . . . . 0.0 110.667 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -60.61 -37.11 80.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.777 -1.202 . . . . 0.0 110.151 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -67.62 -39.98 84.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.564 -1.335 . . . . 0.0 111.027 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.79 -40.03 79.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.833 -1.167 . . . . 0.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.54 -60.44 3.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.602 -1.312 . . . . 0.0 110.118 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.35 -30.49 71.39 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.5 t -69.14 -51.19 40.8 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.285 -1.126 . . . . 0.0 109.857 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.25 -40.2 71.15 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.02 -1.05 . . . . 0.0 109.436 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.54 -40.62 95.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.797 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.508 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 93.6 mt-10 -70.03 -37.85 75.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.117 -0.989 . . . . 0.0 110.47 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.625 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.6 t90 -62.74 -43.62 98.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.652 -1.28 . . . . 0.0 109.211 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.93 -40.05 91.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.256 -0.902 . . . . 0.0 110.176 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -60.26 -28.08 67.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.147 -0.97 . . . . 0.0 109.763 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.19 -35.75 12.35 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.182 -0.949 . . . . 0.0 111.174 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.625 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.8 m-85 -111.37 -9.82 14.24 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 N--CA 1.505 2.32 0 O-C-N 120.243 -1.536 . . . . 0.0 109.457 -179.715 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.4 p -92.05 -157.05 0.49 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.131 -0.981 . . . . 0.0 109.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -68.97 160.31 31.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.25 -0.906 . . . . 0.0 109.055 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -58.62 159.54 6.47 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.209 -0.932 . . . . 0.0 108.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.02 -21.78 66.89 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.621 -0.674 . . . . 0.0 110.475 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.22 -37.58 87.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.111 -0.993 . . . . 0.0 109.908 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.505 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 74.0 t60 -59.33 -49.61 77.17 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.953 -1.092 . . . . 0.0 110.387 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 8' ' ' ARG . 30.1 mtt-85 -69.85 -32.1 70.32 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.145 -0.972 . . . . 0.0 109.863 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.02 -39.93 72.06 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.409 -0.807 . . . . 0.0 110.173 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -65.63 -42.69 91.22 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.349 -0.845 . . . . 0.0 110.201 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.5 m -82.61 15.83 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.96 -8.88 12.48 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.588 -0.695 . . . . 0.0 110.39 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.09 154.09 28.22 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 120.814 -1.179 . . . . 0.0 109.716 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.92 162.34 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.097 1.865 . . . . 0.0 112.121 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.539 ' CE ' HD22 ' A' ' 46' ' ' LEU . 4.1 ptp -94.67 -21.84 18.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.51 -139.78 34.43 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -105.51 30.33 5.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.4 -1.059 . . . . 0.0 109.967 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.68 148.24 67.96 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 120.965 -1.084 . . . . 0.0 108.717 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.28 155.25 66.56 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.489 2.126 . . . . 0.0 112.579 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.4 p -52.8 -43.23 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.632 -0.667 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -60.89 -2.97 2.93 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 p -82.11 -26.25 33.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.921 -1.341 . . . . 0.0 108.856 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.03 138.88 58.17 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.645 0.736 . . . . 0.0 109.236 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 136.6 57.31 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.784 0.802 . . . . 0.0 110.136 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.61 -19.98 51.38 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.2 mm -99.02 119.98 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.127 -1.22 . . . . 0.0 108.393 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -92.69 176.26 37.88 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.676 -1.369 . . . . 0.0 109.676 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.49 -39.94 81.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.487 -1.008 . . . . 0.0 110.481 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.76 -44.35 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.843 -1.161 . . . . 0.0 109.697 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.3 mt -65.54 -36.62 84.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.621 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.43 -39.92 96.93 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -62.97 -39.88 96.01 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.318 -1.107 . . . . 0.0 110.587 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -66.99 -47.58 71.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.763 -1.21 . . . . 0.0 109.74 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.41 -39.92 89.11 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.109 -0.994 . . . . 0.0 108.483 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.07 -40.71 90.47 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.501 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.68 -20.98 65.36 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 0.0 108.877 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.412 HH11 ' HG2' ' A' ' 37' ' ' ARG . 55.4 mtt-85 -89.81 3.06 54.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.428 -0.795 . . . . 0.0 110.288 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.72 5.28 45.11 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.985 -1.072 . . . . 0.0 111.965 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.87 75.61 1.2 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.715 -1.462 . . . . 0.0 109.157 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -83.5 -10.57 58.25 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' A' ' 43' ' ' TYR . 45.6 mmtm -130.89 152.34 50.33 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.125 -0.985 . . . . 0.0 109.489 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -39.63 93.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 111.271 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' A' ' 41' ' ' LYS . 24.7 p90 -58.64 -19.92 43.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.679 -1.263 . . . . 0.0 111.269 -177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 t -79.86 -33.72 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 120.462 -1.399 . . . . 0.0 107.919 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.99 -37.36 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD22 ' CE ' ' A' ' 15' ' ' MET . 20.2 tp -59.99 -37.91 81.02 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.5 -42.32 95.86 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.43 -44.97 95.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -1.232 . . . . 0.0 108.885 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -60.0 -39.99 87.66 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.03 -38.62 82.73 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.0 -21.16 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.504 -0.747 . . . . 0.0 111.362 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.67 14.97 13.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.883 -1.136 . . . . 0.0 111.058 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' B' ' 40' ' ' ASP . 67.3 mttm 49.82 39.43 18.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.654 -1.278 . . . . 0.0 110.201 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.95 19.58 8.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.23 -0.919 . . . . 0.0 109.712 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -70.19 106.85 3.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.423 -1.423 . . . . 0.0 108.884 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -63.95 -39.98 95.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.504 -0.747 . . . . 0.0 112.151 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 97.1 m-20 -68.06 -39.94 82.87 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.444 -1.41 . . . . 0.0 109.741 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -70.02 -39.63 75.7 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 119.178 -1.009 . . . . 0.0 108.806 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -65.29 -49.94 67.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 79.0 mtm180 -60.19 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.117 -0.989 . . . . 0.0 110.918 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.517 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.6 OUTLIER -64.58 -35.15 80.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.5 -1.375 . . . . 0.0 108.923 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.01 -47.83 78.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.13 -0.981 . . . . 0.0 110.95 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.4 tp -68.44 -51.04 48.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.034 -1.041 . . . . 0.0 110.454 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.08 -46.63 88.94 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.626 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.49 -29.06 66.63 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.451 -0.781 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.2 m -80.32 -32.4 37.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.242 -0.911 . . . . 0.0 111.239 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.63 -30.75 1.24 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.59 -1.319 . . . . 0.0 111.929 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.49 15.32 13.95 Favored Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.17 152.62 2.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.08 -1.247 . . . . 0.0 109.491 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -90.26 171.39 9.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.158 -0.964 . . . . 0.0 110.055 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.98 -34.53 73.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.612 -0.68 . . . . 0.0 110.497 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.57 -40.92 73.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.874 -1.141 . . . . 0.0 109.908 -179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.39 -38.41 84.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.337 -0.852 . . . . 0.0 110.909 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.8 m -68.13 -37.71 81.39 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.18 -0.95 . . . . 0.0 110.282 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.99 -38.34 82.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.656 -1.277 . . . . 0.0 109.779 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.93 -39.34 79.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.656 -1.278 . . . . 0.0 111.085 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.26 -39.94 78.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.553 -1.342 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -59.86 -59.78 4.88 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.548 -1.345 . . . . 0.0 110.253 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.75 -31.24 70.98 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.0 t -69.48 -48.76 59.69 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.221 -1.164 . . . . 0.0 110.092 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.0 -40.05 75.52 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.634 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -62.43 -40.11 95.49 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.289 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.8 mt-10 -69.94 -39.07 76.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.983 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.605 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 85.4 t90 -63.0 -46.24 88.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.357 -1.464 . . . . 0.0 109.293 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.5 m -60.98 -40.27 92.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.262 -0.899 . . . . 0.0 110.253 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.28 -27.29 65.7 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.058 -1.027 . . . . 0.0 109.138 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.9 -35.49 12.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.214 -0.929 . . . . 0.0 111.14 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.605 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.1 m-85 -111.51 -7.26 14.33 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.23 -0.919 . . . . 0.0 113.038 -176.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.502 2.14 0 O-C-N 120.254 -1.529 . . . . 0.0 109.499 -179.584 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 78.6 p -92.1 -156.86 0.48 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.177 -0.952 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -69.11 160.36 31.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.216 -0.927 . . . . 0.0 109.052 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 22.1 t -58.65 159.6 6.46 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.21 -0.932 . . . . 0.0 108.838 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.1 -21.69 66.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.603 -0.685 . . . . 0.0 110.45 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.3 -37.54 87.85 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.086 -1.009 . . . . 0.0 109.908 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.509 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 73.9 t60 -59.35 -49.53 77.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.984 -1.073 . . . . 0.0 110.421 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' B' ' 8' ' ' ARG . 30.4 mtt-85 -69.95 -31.97 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.219 -0.926 . . . . 0.0 109.827 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -71.06 -39.94 71.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.378 -0.826 . . . . 0.0 110.158 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -65.75 -42.69 90.62 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.333 -0.855 . . . . 0.0 110.153 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.42 15.54 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.118 -0.989 . . . . 0.0 109.766 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.82 -8.76 12.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.561 -0.712 . . . . 0.0 110.325 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -155.17 154.03 28.01 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.88 -1.137 . . . . 0.0 109.744 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.93 162.32 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.119 1.879 . . . . 0.0 112.186 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.535 ' CE ' HD22 ' B' ' 46' ' ' LEU . 3.9 ptp -94.67 -21.82 18.54 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.152 -0.967 . . . . 0.0 110.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.7 -139.76 35.2 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -105.74 30.67 5.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.381 -1.07 . . . . 0.0 109.847 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -58.81 148.19 69.51 Favored Pre-proline 0 N--CA 1.488 1.436 0 O-C-N 120.967 -1.083 . . . . 0.0 108.782 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.21 155.39 65.5 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.451 2.101 . . . . 0.0 112.634 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.432 HG13 ' N ' ' B' ' 21' ' ' GLY . 3.4 p -52.93 -43.29 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.663 -0.648 . . . . 0.0 110.323 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.432 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -60.82 -3.0 2.89 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.7 p -81.93 -26.38 34.09 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.918 -1.342 . . . . 0.0 108.961 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.93 138.98 58.13 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.611 0.72 . . . . 0.0 109.213 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.39 136.67 57.34 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.724 0.773 . . . . 0.0 110.107 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.55 -19.85 51.96 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.3 mm -99.23 119.98 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.048 -1.266 . . . . 0.0 108.376 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.63 176.31 38.03 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -58.37 -40.02 81.13 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.438 -1.037 . . . . 0.0 110.601 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -67.81 -44.35 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.948 -1.095 . . . . 0.0 109.752 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.5 -36.64 84.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 109.623 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.0 96.93 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -62.89 -39.98 96.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.202 -1.175 . . . . 0.0 110.54 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.03 -47.54 71.07 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.652 -1.28 . . . . 0.0 109.745 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -40.02 89.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.117 -0.99 . . . . 0.0 108.415 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.04 -40.63 90.07 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.538 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 108.818 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' B' ' 37' ' ' ARG . 55.4 mtt-85 -89.8 2.8 54.48 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.475 -0.766 . . . . 0.0 110.18 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.96 5.15 44.54 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 121.071 -1.018 . . . . 0.0 111.989 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -104.68 75.46 1.21 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.777 -1.425 . . . . 0.0 109.255 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.505 ' OD1' ' NZ ' ' A' ' 53' ' ' LYS . 36.2 p-10 -83.41 -10.91 58.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.349 -0.844 . . . . 0.0 110.799 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.417 ' CB ' ' CE2' ' B' ' 43' ' ' TYR . 45.7 mmtm -130.61 152.45 49.97 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.66 93.82 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.45 -0.781 . . . . 0.0 111.271 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.417 ' CE2' ' CB ' ' B' ' 41' ' ' LYS . 23.8 p90 -58.64 -19.81 42.24 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.632 -1.293 . . . . 0.0 111.288 -177.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 t -79.83 -33.75 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.395 -1.441 . . . . 0.0 107.997 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -75.99 -37.24 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE ' ' B' ' 15' ' ' MET . 19.9 tp -60.06 -37.83 81.03 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.57 -42.19 95.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.71 -44.81 96.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.025 -1.279 . . . . 0.0 108.871 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -59.99 -40.05 87.85 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -68.08 -38.34 82.25 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.17 -21.22 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.456 -0.777 . . . . 0.0 111.302 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -91.64 14.84 13.97 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.785 -1.197 . . . . 0.0 110.989 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 49.9 39.38 18.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.619 -1.3 . . . . 0.0 110.313 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt 59.84 19.9 8.8 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 109.819 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -70.41 106.52 3.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.626 -1.296 . . . . 0.0 108.91 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.65 -40.01 95.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.609 -0.682 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 97.1 m-20 -68.17 -39.96 82.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.585 -1.322 . . . . 0.0 109.724 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.97 -39.7 75.81 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.777 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -65.14 -49.92 68.0 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.475 -0.766 . . . . 0.0 109.721 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 79.0 mtm180 -60.45 -47.83 84.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.184 -0.948 . . . . 0.0 110.99 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.5 OUTLIER -64.79 -35.13 80.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.537 -1.352 . . . . 0.0 108.836 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.434 ' O ' ' OG1' ' B' ' 66' ' ' THR . 61.8 t90 -63.92 -47.96 78.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.12 -0.988 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -68.38 -50.96 49.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.035 -1.041 . . . . 0.0 110.47 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -60.09 -46.69 88.74 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.331 -0.855 . . . . 0.0 109.661 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.48 -29.08 66.65 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.535 -0.728 . . . . 0.0 109.667 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 40.0 m -80.31 -32.28 38.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.85 . . . . 0.0 111.287 -178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 29.7 p -133.8 -30.61 1.23 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.57 -1.332 . . . . 0.0 111.926 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.42 15.13 14.41 Favored Glycine 0 N--CA 1.5 2.91 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.08 152.51 2.24 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.181 -1.187 . . . . 0.0 109.587 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.14 171.45 9.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.133 -0.979 . . . . 0.0 110.169 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.75 73.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.536 -0.727 . . . . 0.0 110.479 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.36 -40.77 73.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.832 -1.167 . . . . 0.0 110.023 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.47 -38.74 84.89 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.858 . . . . 0.0 110.748 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -67.85 -37.93 82.48 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.108 -0.995 . . . . 0.0 110.318 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -59.93 -38.42 82.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.69 -1.256 . . . . 0.0 109.737 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -68.75 -39.27 80.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.526 -1.359 . . . . 0.0 111.189 -178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 80.8 m -69.25 -40.07 78.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.54 -1.35 . . . . 0.0 110.657 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -59.69 -59.95 4.61 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.523 -1.361 . . . . 0.0 110.303 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.6 -31.31 70.6 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.2 t -69.44 -48.85 59.64 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.228 -1.16 . . . . 0.0 110.031 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.97 -39.97 75.67 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.675 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -62.51 -39.99 95.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.987 -1.07 . . . . 0.0 110.247 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.509 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 95.8 mt-10 -70.0 -38.93 76.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.126 -0.984 . . . . 0.0 110.958 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 85.5 t90 -63.06 -46.3 88.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.464 -1.397 . . . . 0.0 109.266 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.1 m -61.12 -40.11 92.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -59.34 -27.36 65.86 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.996 -1.065 . . . . 0.0 109.085 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.77 -35.62 12.68 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.379 -0.826 . . . . 0.0 111.143 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.3 m-85 -111.64 -6.92 14.31 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.224 -0.923 . . . . 0.0 113.175 -176.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.501 2.1 0 O-C-N 120.255 -1.528 . . . . 0.0 109.435 -179.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.7 m -102.46 -20.26 14.6 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.279 -0.888 . . . . 0.0 110.367 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.3 p -71.78 154.76 41.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.081 -1.012 . . . . 0.0 109.976 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t -74.88 165.73 24.77 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.95 -23.42 66.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.624 -0.673 . . . . 0.0 110.546 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.0 -37.24 81.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.079 -1.013 . . . . 0.0 109.84 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -59.12 -50.0 75.73 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.068 -1.02 . . . . 0.0 110.349 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.02 -33.25 71.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.043 -1.036 . . . . 0.0 110.424 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.6 -36.75 68.18 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.217 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -67.08 -41.47 86.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.193 -0.942 . . . . 0.0 110.136 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.62 17.06 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.19 -0.944 . . . . 0.0 109.91 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -6.07 10.02 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.556 -0.715 . . . . 0.0 110.226 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -152.69 151.27 26.45 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 120.89 -1.131 . . . . 0.0 109.638 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -43.3 159.03 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 121.905 1.737 . . . . 0.0 111.887 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.649 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.0 ptp -93.67 -27.1 16.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.059 -1.025 . . . . 0.0 109.401 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.93 -136.03 45.96 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -107.19 30.04 6.57 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.492 -1.005 . . . . 0.0 110.624 -178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.05 148.47 77.54 Favored Pre-proline 0 N--CA 1.49 1.564 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.02 154.42 73.49 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 122.206 1.938 . . . . 0.0 112.67 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 21' ' ' GLY . 12.0 p -53.34 -45.8 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.716 -0.615 . . . . 0.0 110.797 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.584 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -58.96 -3.18 1.55 Allowed Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' VAL . 23.7 t -81.91 -21.12 37.53 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.947 -1.325 . . . . 0.0 108.803 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.29 139.98 58.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.473 -0.767 . . . . 0.0 109.247 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.72 134.82 56.03 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 119.554 -0.858 . . . . 0.0 109.355 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.96 -20.01 50.83 Favored Glycine 0 N--CA 1.498 2.775 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.34 117.94 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.028 -1.278 . . . . 0.0 108.238 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.16 175.53 36.48 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 120.638 -1.289 . . . . 0.0 110.138 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.04 -40.07 79.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.534 -0.98 . . . . 0.0 110.704 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.44 -43.52 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.814 -1.178 . . . . 0.0 109.598 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.19 -35.81 81.42 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 109.596 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.94 96.26 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.54 -38.82 90.7 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.257 -1.143 . . . . 0.0 110.777 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.16 -48.04 69.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.737 -1.227 . . . . 0.0 109.791 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -38.37 85.47 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.97 -41.74 92.62 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.756 -0.778 . . . . 0.0 109.614 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -67.61 -18.97 65.17 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.33 -0.856 . . . . 0.0 108.772 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.04 57.27 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.646 -0.659 . . . . 0.0 110.112 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.97 4.09 45.16 Favored Glycine 0 N--CA 1.505 3.275 0 O-C-N 121.034 -1.041 . . . . 0.0 111.973 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -104.01 75.48 1.28 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.885 -1.362 . . . . 0.0 108.925 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -82.64 -11.51 58.32 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.22 -0.925 . . . . 0.0 110.671 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -130.15 151.88 50.19 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.048 -1.032 . . . . 0.0 109.657 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.0 95.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.733 -0.604 . . . . 0.0 111.353 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -59.45 -19.25 46.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.859 -1.151 . . . . 0.0 111.122 -177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.36 -33.51 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.491 -1.38 . . . . 0.0 107.671 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -77.49 -37.35 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD22 ' CE ' ' A' ' 15' ' ' MET . 22.6 tp -60.02 -38.49 82.85 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.33 -40.13 95.6 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.07 -42.96 95.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -1.206 . . . . 0.0 108.395 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.01 -40.01 87.8 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.97 -39.19 79.6 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.13 -27.93 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.391 -0.818 . . . . 0.0 110.355 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.47 12.91 11.09 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.154 -0.966 . . . . 0.0 110.348 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.3 39.68 9.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.771 -1.205 . . . . 0.0 109.756 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.03 20.96 10.09 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.798 -0.563 . . . . 0.0 110.69 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.75 108.48 4.46 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.601 -1.312 . . . . 0.0 108.995 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.65 -40.09 95.99 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.26 -39.2 78.56 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.599 -1.313 . . . . 0.0 110.939 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.48 -37.57 77.33 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.059 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -63.48 -46.01 88.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.274 -0.891 . . . . 0.0 109.562 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -59.94 -48.81 80.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.38 -0.825 . . . . 0.0 111.105 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.33 -39.96 96.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.687 -1.258 . . . . 0.0 108.847 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.06 -48.24 77.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.161 -0.962 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.5 tp -66.48 -44.51 82.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.057 -1.027 . . . . 0.0 110.266 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.03 -48.93 79.68 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.075 -1.016 . . . . 0.0 109.708 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -69.49 -28.86 66.42 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.425 -0.797 . . . . 0.0 110.128 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 65.1 m -76.91 -38.6 53.17 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.007 -1.058 . . . . 0.0 111.493 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.8 p -130.27 -29.65 2.01 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.506 -1.371 . . . . 0.0 112.35 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.83 14.11 27.85 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.551 -1.819 . . . . 0.0 108.551 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 155.5 1.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.24 -1.153 . . . . 0.0 109.243 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.623 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 9.6 t-20 -87.95 168.94 12.43 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.028 -1.045 . . . . 0.0 110.519 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.623 ' H ' ' ND2' ' A' ' 70' ' ' ASN . . . -61.24 -33.58 73.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.708 -0.62 . . . . 0.0 110.491 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -71.31 -41.28 70.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.018 -1.051 . . . . 0.0 109.808 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.49 -35.15 79.55 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.405 -0.809 . . . . 0.0 110.253 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.4 t -68.4 -38.57 81.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 110.414 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -60.35 -37.73 81.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.847 -1.158 . . . . 0.0 109.615 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.41 -38.72 81.51 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.685 -1.259 . . . . 0.0 110.786 -178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.23 -40.0 89.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.796 -1.19 . . . . 0.0 110.156 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.39 -58.9 6.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.716 -1.24 . . . . 0.0 109.847 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.87 -33.32 85.0 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.81 -50.78 54.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.83 -1.394 . . . . 0.0 109.908 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.95 -39.81 75.82 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.373 -0.931 . . . . 0.0 109.357 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.95 -40.03 96.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.109 -0.994 . . . . 0.0 110.766 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.25 -39.39 78.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.92 -1.112 . . . . 0.0 110.584 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 82.0 t90 -60.35 -44.26 95.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.702 -1.249 . . . . 0.0 108.699 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 m -60.04 -40.5 89.63 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.364 -0.835 . . . . 0.0 109.775 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.27 -31.86 70.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.29 -0.881 . . . . 0.0 110.052 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.82 -36.36 18.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.129 -0.982 . . . . 0.0 110.363 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.634 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.1 m-85 -107.2 -87.84 0.47 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.468 -0.77 . . . . 0.0 110.37 -178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.119 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 75.0 m -102.47 -20.28 14.58 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.235 -0.915 . . . . 0.0 110.32 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.2 p -71.9 155.06 40.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 110.022 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.3 t -75.07 165.62 24.95 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.87 -23.47 66.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.605 -0.684 . . . . 0.0 110.543 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.01 -37.23 81.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.042 -1.036 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -59.16 -50.04 75.58 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.11 -0.993 . . . . 0.0 110.295 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -70.04 -33.17 71.63 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.023 -1.048 . . . . 0.0 110.475 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.59 -36.92 68.25 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.327 -0.858 . . . . 0.0 110.167 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -66.97 -41.46 86.8 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -0.916 . . . . 0.0 110.136 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -83.69 17.2 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.949 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.07 -6.13 9.98 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.495 -0.753 . . . . 0.0 110.218 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -152.68 151.29 26.5 Favored Pre-proline 0 N--CA 1.496 1.851 0 O-C-N 120.864 -1.147 . . . . 0.0 109.647 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -43.27 158.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.846 1.697 . . . . 0.0 111.878 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.645 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.2 ptp -93.46 -27.01 16.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.043 -1.036 . . . . 0.0 109.475 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.69 -136.08 45.01 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.12 30.04 6.55 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.481 -1.011 . . . . 0.0 110.623 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -60.0 148.5 77.1 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 120.862 -1.149 . . . . 0.0 108.06 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.15 154.44 73.46 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.244 1.963 . . . . 0.0 112.682 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 21' ' ' GLY . 12.0 p -53.24 -45.79 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.75 -0.594 . . . . 0.0 110.773 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -59.01 -3.09 1.52 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.418 ' H ' ' C ' ' B' ' 20' ' ' VAL . 23.7 t -82.03 -21.14 37.12 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.889 -1.359 . . . . 0.0 108.818 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.36 140.02 58.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.416 -0.802 . . . . 0.0 109.199 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.73 134.7 55.81 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.41 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.97 50.94 Favored Glycine 0 N--CA 1.498 2.83 0 N-CA-C 109.989 -1.245 . . . . 0.0 109.989 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -98.36 117.83 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.045 -1.268 . . . . 0.0 108.334 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.24 175.58 36.41 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 120.714 -1.241 . . . . 0.0 110.194 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -58.1 -39.95 79.92 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.495 -1.003 . . . . 0.0 110.677 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.62 -43.47 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.24 -35.76 81.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.295 -0.878 . . . . 0.0 109.632 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.97 96.24 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.51 -38.97 91.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.185 -1.185 . . . . 0.0 110.773 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -67.08 -47.91 69.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.712 -1.242 . . . . 0.0 109.759 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 43.9 mt -60.99 -38.47 86.11 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.94 -41.6 92.18 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.621 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.69 -18.97 65.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.362 -0.836 . . . . 0.0 108.794 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -89.84 0.01 57.29 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.096 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.25 45.34 Favored Glycine 0 N--CA 1.505 3.249 0 O-C-N 121.032 -1.043 . . . . 0.0 111.927 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -104.21 75.59 1.27 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.934 -1.333 . . . . 0.0 108.96 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -82.75 -11.4 58.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.305 -0.872 . . . . 0.0 110.661 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -130.22 152.02 50.1 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.158 -0.964 . . . . 0.0 109.608 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.95 95.12 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.704 -0.622 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -59.47 -19.35 47.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.792 -1.193 . . . . 0.0 111.118 -177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.6 t -79.18 -33.51 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 120.507 -1.371 . . . . 0.0 107.744 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 80.8 t -77.51 -37.43 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.645 HD22 ' CE ' ' B' ' 15' ' ' MET . 22.3 tp -60.03 -38.59 83.18 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.17 -40.17 95.4 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.02 -42.99 95.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -1.187 . . . . 0.0 108.426 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -60.03 -40.01 87.89 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.91 -39.26 79.76 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.11 -27.78 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.321 -0.862 . . . . 0.0 110.388 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -87.59 12.99 11.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.092 -1.005 . . . . 0.0 110.324 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 47.13 39.71 8.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.765 -1.209 . . . . 0.0 109.802 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 59.97 20.91 9.96 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.799 -0.563 . . . . 0.0 110.663 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -70.57 108.42 4.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.501 -1.374 . . . . 0.0 108.999 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.73 -39.97 95.61 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.3 -39.15 78.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.575 -1.328 . . . . 0.0 110.957 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.53 -37.63 77.2 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.063 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -63.4 -45.97 88.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.02 -48.98 79.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.379 -0.826 . . . . 0.0 111.121 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.09 -39.9 96.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.792 -1.193 . . . . 0.0 108.882 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -64.14 -48.18 77.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.251 -0.906 . . . . 0.0 111.349 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.42 -44.62 82.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.264 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -60.07 -48.8 80.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.139 -0.976 . . . . 0.0 109.721 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -69.35 -29.42 67.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.383 -0.823 . . . . 0.0 110.054 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 64.3 m -76.44 -38.72 55.05 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.011 -1.056 . . . . 0.0 111.551 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.1 p -130.23 -29.65 2.02 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.505 -1.372 . . . . 0.0 112.293 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.84 14.17 27.69 Favored Glycine 0 N--CA 1.497 2.748 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.96 155.48 1.2 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.216 -1.167 . . . . 0.0 109.22 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.63 ' ND2' ' H ' ' B' ' 71' ' ' ALA . 9.5 t-20 -87.73 169.08 12.41 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.993 -1.067 . . . . 0.0 110.539 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.63 ' H ' ' ND2' ' B' ' 70' ' ' ASN . . . -61.45 -33.46 73.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.752 -0.593 . . . . 0.0 110.574 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -71.39 -41.27 69.86 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.043 -1.036 . . . . 0.0 109.845 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -66.38 -35.18 79.69 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.362 -0.836 . . . . 0.0 110.342 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -68.42 -38.61 81.39 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.231 -0.918 . . . . 0.0 110.369 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -60.35 -37.64 81.31 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.829 -1.17 . . . . 0.0 109.612 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -68.51 -38.63 81.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.565 -1.334 . . . . 0.0 110.828 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -66.25 -39.99 89.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.862 -1.149 . . . . 0.0 110.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -58.39 -58.81 6.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.655 -1.278 . . . . 0.0 109.907 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.85 -33.3 84.9 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.89 -50.69 54.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.348 . . . . 0.0 109.909 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.05 -39.72 75.52 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 119.378 -0.929 . . . . 0.0 109.378 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -63.15 -39.99 96.25 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 110.72 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -69.15 -39.35 78.85 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.989 -1.069 . . . . 0.0 110.603 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 82.1 t90 -60.47 -44.12 96.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.58 -1.325 . . . . 0.0 108.673 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.9 m -60.02 -40.63 89.97 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.3 -31.71 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -0.842 . . . . 0.0 110.102 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.68 -36.69 18.58 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.127 -0.983 . . . . 0.0 110.371 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -107.12 -87.82 0.47 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.367 -0.833 . . . . 0.0 110.358 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.086 -1.009 . . . . 0.0 109.102 -179.683 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.403 0.621 . . . . 0.0 109.462 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.3 p -80.02 166.22 21.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.0 109.649 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.5 p -70.92 150.67 45.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.286 -0.884 . . . . 0.0 109.405 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.9 p -79.08 162.74 25.66 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.302 -0.874 . . . . 0.0 109.171 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.25 -22.09 62.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.656 -0.653 . . . . 0.0 109.748 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.32 -37.1 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 109.8 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' A' ' 11' ' ' VAL . 71.6 t60 -60.02 -50.0 75.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.22 -0.925 . . . . 0.0 110.869 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.66 -32.72 71.53 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.993 -1.067 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.59 -39.83 73.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.364 -0.835 . . . . 0.0 111.067 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -70.0 -40.69 75.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.934 -1.104 . . . . 0.0 110.816 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 7' ' ' HIS . 17.3 m -83.62 11.72 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.056 -1.027 . . . . 0.0 110.711 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.27 -5.17 10.42 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.321 -0.862 . . . . 0.0 110.512 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.72 151.62 23.93 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 120.983 -1.073 . . . . 0.0 109.307 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -42.51 159.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.319 0 C-N-CA 121.915 1.743 . . . . 0.0 111.824 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.647 ' CE ' HD22 ' A' ' 46' ' ' LEU . 9.8 ptp -92.67 -22.0 19.68 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.95 -138.05 39.21 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -106.86 31.37 5.36 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.575 -0.956 . . . . 0.0 110.201 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.0 148.66 76.72 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.036 -1.04 . . . . 0.0 108.936 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.39 77.36 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.324 2.016 . . . . 0.0 112.442 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.0 p -52.7 -39.36 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.597 -0.689 . . . . 0.0 110.645 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.09 -3.21 5.99 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.8 m -81.76 -24.47 36.01 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.804 -1.409 . . . . 0.0 109.253 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.03 139.97 58.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.271 -0.893 . . . . 0.0 109.733 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 137.44 58.05 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.643 0.735 . . . . 0.0 110.441 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -21.01 47.75 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.9 mm -98.44 120.13 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.1 -1.235 . . . . 0.0 108.603 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -91.51 176.13 39.67 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -59.58 -39.94 85.79 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.545 -0.974 . . . . 0.0 110.459 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.67 -44.65 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.873 -1.142 . . . . 0.0 109.425 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 27' ' ' GLY . 68.8 mt -67.13 -36.77 82.6 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.399 -0.813 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -36.98 91.97 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 36' ' ' GLU . 62.7 tttm -64.01 -40.01 95.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.558 -0.966 . . . . 0.0 110.146 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.01 -48.32 71.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.899 -1.126 . . . . 0.0 109.966 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.05 -38.5 86.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.076 -1.015 . . . . 0.0 108.714 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.93 -40.05 87.6 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.625 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 32' ' ' LYS . 98.9 mt-10 -68.8 -19.12 64.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.14 -0.975 . . . . 0.0 108.857 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.49 0.6 56.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.606 -0.684 . . . . 0.0 110.363 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.95 3.96 42.11 Favored Glycine 0 N--CA 1.505 3.256 0 O-C-N 121.059 -1.026 . . . . 0.0 111.891 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.45 76.47 1.31 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.893 -1.357 . . . . 0.0 109.035 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' B' ' 53' ' ' LYS . 37.7 p-10 -80.99 -10.09 59.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.322 -0.861 . . . . 0.0 110.861 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.98 158.79 43.61 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.897 -1.127 . . . . 0.0 110.719 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.58 92.24 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -59.93 -19.74 53.57 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.43 -1.419 . . . . 0.0 111.195 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.08 -34.83 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.51 -1.369 . . . . 0.0 107.541 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.86 -36.43 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.647 HD22 ' CE ' ' A' ' 15' ' ' MET . 26.1 tp -60.09 -38.23 82.32 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.33 -41.93 95.32 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.05 -41.69 92.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.007 -1.29 . . . . 0.0 108.943 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.46 -40.19 90.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.38 -0.825 . . . . 0.0 108.883 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.21 -38.59 82.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.21 -29.94 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.382 -0.824 . . . . 0.0 110.405 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.28 12.36 8.28 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.051 -1.031 . . . . 0.0 110.266 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 69.1 mttm 48.22 38.46 10.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.8 -1.188 . . . . 0.0 110.039 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 59.98 20.06 9.13 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.52 -0.738 . . . . 0.0 110.78 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -68.85 106.95 2.88 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.407 -1.433 . . . . 0.0 108.66 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -64.86 -40.02 94.48 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.299 -0.875 . . . . 0.0 112.122 -178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -67.8 -39.95 83.96 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.84 -1.162 . . . . 0.0 109.944 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.04 -37.83 75.68 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.283 -0.967 . . . . 0.0 109.142 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.83 -41.71 91.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 0.0 109.819 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.456 HH22 ' CG ' ' A' ' 75' ' ' ARG . 50.6 mtt-85 -59.88 -49.79 76.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.27 -0.894 . . . . 0.0 110.927 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.0 -38.69 91.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.74 -1.225 . . . . 0.0 109.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.4 ' O ' ' OG1' ' A' ' 66' ' ' THR . 69.5 t90 -62.56 -47.78 82.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.365 -0.835 . . . . 0.0 110.646 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.01 -48.6 62.61 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.162 -0.961 . . . . 0.0 110.4 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.17 -48.02 83.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.06 -1.025 . . . . 0.0 109.524 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 31.6 t0 -67.6 -32.18 72.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.657 -0.652 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.5 m -79.07 -34.95 43.21 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.355 -0.841 . . . . 0.0 111.242 -178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.493 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 17.4 p -133.05 -39.74 0.94 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 120.528 -1.357 . . . . 0.0 112.182 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.493 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 113.54 16.79 7.93 Favored Glycine 0 N--CA 1.503 3.118 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.2 152.18 3.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.993 -1.298 . . . . 0.0 109.782 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -92.0 172.49 8.41 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.165 -0.96 . . . . 0.0 109.822 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.18 71.59 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.349 -0.844 . . . . 0.0 110.988 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -70.2 -40.07 74.8 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.71 -1.243 . . . . 0.0 109.898 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -66.26 -39.72 89.67 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.33 -0.856 . . . . 0.0 110.352 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 m -63.78 -39.95 95.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.365 -0.835 . . . . 0.0 110.603 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' CG ' HH22 ' A' ' 60' ' ' ARG . 95.6 mtt180 -61.19 -38.57 87.0 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.673 -1.267 . . . . 0.0 109.279 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.96 -39.9 75.74 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.849 -1.157 . . . . 0.0 110.501 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.74 -39.98 80.06 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.917 -1.114 . . . . 0.0 109.356 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.05 -59.87 4.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.976 -1.077 . . . . 0.0 110.052 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.86 -32.96 83.77 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -67.29 -49.98 62.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.949 -1.324 . . . . 0.0 109.38 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.99 -40.06 75.54 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.56 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -63.76 -40.01 95.65 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.044 -1.035 . . . . 0.0 110.374 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -69.79 -38.57 76.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 110.099 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 81.1 t90 -61.62 -44.57 96.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.732 -1.23 . . . . 0.0 108.728 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.2 -39.95 88.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 0.0 109.169 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.53 -31.71 69.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.396 -0.815 . . . . 0.0 110.373 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.83 -36.25 18.61 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 110.695 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 98.4 m-85 -105.73 -85.57 0.49 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.209 -0.932 . . . . 0.0 110.298 -178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.762 0 O-C-N 120.931 -1.106 . . . . 0.0 108.941 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.328 0.585 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.3 p -80.25 166.45 21.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -0.91 . . . . 0.0 109.718 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.9 p -71.11 150.74 45.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 0.0 109.346 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 92.1 p -79.03 162.74 25.7 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.357 -0.84 . . . . 0.0 109.245 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.36 -21.99 62.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.67 -0.644 . . . . 0.0 109.782 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.51 -37.11 80.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.945 . . . . 0.0 109.706 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.425 ' O ' HG22 ' B' ' 11' ' ' VAL . 71.9 t60 -59.91 -49.98 75.56 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.122 -0.986 . . . . 0.0 110.802 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -69.72 -32.73 71.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.942 -1.099 . . . . 0.0 109.522 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -70.64 -39.91 73.38 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.472 -0.768 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -69.92 -40.78 75.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.824 -1.173 . . . . 0.0 110.816 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 7' ' ' HIS . 17.1 m -83.69 12.03 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.063 -1.023 . . . . 0.0 110.808 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.55 -5.23 10.28 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.336 -0.853 . . . . 0.0 110.411 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -154.71 151.41 23.48 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 120.937 -1.102 . . . . 0.0 109.352 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -42.33 159.97 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 121.834 1.689 . . . . 0.0 111.829 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.651 ' CE ' HD22 ' B' ' 46' ' ' LEU . 9.4 ptp -92.74 -21.62 19.84 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.202 -0.936 . . . . 0.0 109.951 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.4 -138.07 37.12 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -106.74 31.53 5.21 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.584 -0.951 . . . . 0.0 110.194 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -60.04 148.69 76.93 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.918 -1.114 . . . . 0.0 108.994 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.49 153.35 77.6 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.401 2.067 . . . . 0.0 112.422 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.8 p -52.76 -39.27 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.749 -0.594 . . . . 0.0 110.679 -179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.404 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.25 -2.97 5.94 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -82.08 -24.42 35.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.82 -1.4 . . . . 0.0 109.105 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.01 139.85 58.81 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.951 0.882 . . . . 0.0 109.743 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.7 137.41 58.07 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.663 0.744 . . . . 0.0 110.518 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.18 -20.97 47.92 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 mm -98.37 120.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.034 -1.274 . . . . 0.0 108.519 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.408 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -91.89 175.99 38.94 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -59.5 -39.99 85.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.987 . . . . 0.0 110.401 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.7 -44.79 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.98 -1.075 . . . . 0.0 109.414 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.408 HD12 ' H ' ' B' ' 27' ' ' GLY . 70.1 mt -67.03 -36.85 83.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.768 . . . . 0.0 109.674 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.07 92.02 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' B' ' 36' ' ' GLU . 62.7 tttm -64.04 -40.01 95.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.564 -0.962 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.89 -48.34 71.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.903 -1.123 . . . . 0.0 109.93 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.92 -38.47 85.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.039 -1.038 . . . . 0.0 108.729 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.05 -40.2 88.6 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' B' ' 32' ' ' LYS . 98.8 mt-10 -68.49 -19.26 64.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.221 -0.924 . . . . 0.0 108.896 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -89.6 1.17 56.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.381 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.55 3.87 43.43 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.998 -1.064 . . . . 0.0 111.895 177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -104.77 76.76 1.29 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.978 -1.307 . . . . 0.0 109.068 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -81.29 -10.1 59.64 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.808 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -137.92 158.93 43.32 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 120.908 -1.12 . . . . 0.0 110.62 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -60.3 -19.95 57.15 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.423 -1.423 . . . . 0.0 111.099 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -77.98 -34.67 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 120.542 -1.349 . . . . 0.0 107.565 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.93 -36.4 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.651 HD22 ' CE ' ' B' ' 15' ' ' MET . 25.7 tp -60.07 -38.21 82.19 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.38 -42.01 95.45 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -60.02 -41.68 92.72 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.941 -1.329 . . . . 0.0 108.848 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -60.37 -40.16 89.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.423 -0.798 . . . . 0.0 108.87 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.31 -38.9 82.07 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.0 -29.66 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.381 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.5 mt -85.63 12.72 8.16 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.046 -1.034 . . . . 0.0 110.245 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 40' ' ' ASP . 69.0 mttm 47.94 38.35 9.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.691 -1.256 . . . . 0.0 110.206 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 60.01 19.95 9.07 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.556 -0.715 . . . . 0.0 110.755 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.67 106.92 2.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.402 -1.436 . . . . 0.0 108.615 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -40.13 94.77 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.187 -0.946 . . . . 0.0 112.12 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.57 -40.02 84.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.879 -1.138 . . . . 0.0 110.041 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.0 -37.88 75.82 Favored 'General case' 0 C--N 1.292 -1.926 0 C-N-CA 119.341 -0.943 . . . . 0.0 109.158 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -65.76 -41.71 91.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.513 -0.742 . . . . 0.0 109.917 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.452 HH22 ' CG ' ' B' ' 75' ' ' ARG . 49.5 mtt-85 -59.99 -49.95 75.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.276 -0.89 . . . . 0.0 110.931 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.82 -38.36 90.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.891 -1.131 . . . . 0.0 109.164 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -62.98 -47.56 82.64 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.366 -0.834 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.94 -48.73 62.52 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.22 -0.925 . . . . 0.0 110.438 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.07 -48.12 83.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.043 -1.036 . . . . 0.0 109.511 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' B' ' 65' ' ' ASP . 36.5 t0 -67.47 -31.93 72.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.606 -0.684 . . . . 0.0 109.38 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.7 m -79.34 -34.77 41.87 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.381 -0.825 . . . . 0.0 111.3 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' B' ' 68' ' ' GLY . 17.4 p -133.14 -39.87 0.93 Allowed 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.57 -1.331 . . . . 0.0 112.083 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.488 ' N ' ' SG ' ' B' ' 67' ' ' CYS . . . 113.45 17.08 7.79 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.28 152.18 3.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.993 -1.298 . . . . 0.0 109.775 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.88 172.77 8.24 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.105 -0.997 . . . . 0.0 109.735 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -33.2 71.71 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.4 -0.812 . . . . 0.0 110.998 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -70.35 -40.08 74.27 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.776 -1.202 . . . . 0.0 109.856 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.19 -39.73 89.91 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.426 -0.796 . . . . 0.0 110.325 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . 0.403 ' HB2' HH12 ' B' ' 60' ' ' ARG . 56.7 m -63.76 -40.02 95.69 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.189 -0.944 . . . . 0.0 110.579 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.452 ' CG ' HH22 ' B' ' 60' ' ' ARG . 95.8 mtt180 -61.36 -38.31 86.52 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.61 -1.307 . . . . 0.0 109.227 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.948 -1.095 . . . . 0.0 110.626 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -68.69 -40.12 80.19 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.88 -1.137 . . . . 0.0 109.406 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -60.1 -59.68 5.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.997 -1.065 . . . . 0.0 110.03 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.04 -32.83 83.62 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 53.1 t -67.54 -49.87 61.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.906 -1.349 . . . . 0.0 109.35 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.1 -39.95 75.23 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 119.247 -0.981 . . . . 0.0 109.45 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -63.66 -40.05 95.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.105 -0.997 . . . . 0.0 110.482 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -69.85 -38.52 76.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.083 -1.011 . . . . 0.0 110.117 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 80.8 t90 -61.67 -44.71 96.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.621 -1.3 . . . . 0.0 108.655 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.08 -39.97 87.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.235 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.47 -31.47 69.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.496 -0.752 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -36.29 18.19 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.994 -1.066 . . . . 0.0 110.601 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 98.4 m-85 -105.55 -85.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.269 -0.895 . . . . 0.0 110.14 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 N--CA 1.494 1.757 0 O-C-N 120.836 -1.165 . . . . 0.0 108.981 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptm . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.404 0.621 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.4 m -65.57 143.86 57.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.173 -0.954 . . . . 0.0 109.659 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.7 p -70.01 160.02 32.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 109.73 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.4 m -79.51 168.51 19.33 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.836 . . . . 0.0 109.291 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.96 -20.34 66.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.692 -0.63 . . . . 0.0 110.289 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.8 -39.44 94.24 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.154 -0.966 . . . . 0.0 109.734 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 72.3 t60 -59.87 -50.23 74.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.061 -1.024 . . . . 0.0 110.596 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 99.2 mtt180 -70.23 -33.61 71.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.974 -1.079 . . . . 0.0 109.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.79 -39.97 72.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.345 -0.847 . . . . 0.0 110.058 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.94 -44.48 80.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.434 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 7' ' ' HIS . 14.0 m -84.95 13.71 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 110.367 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -110.73 -10.3 14.47 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.281 -0.887 . . . . 0.0 110.529 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -153.95 152.12 26.14 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 120.969 -1.082 . . . . 0.0 109.215 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -40.48 160.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 122.091 1.86 . . . . 0.0 112.039 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.589 ' HE3' HD22 ' A' ' 46' ' ' LEU . 5.9 ptp -88.69 -20.82 24.37 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.038 -1.039 . . . . 0.0 109.648 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.15 -140.01 13.13 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.52 29.89 6.16 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.438 -1.036 . . . . 0.0 110.435 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.69 149.84 77.82 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.944 -1.098 . . . . 0.0 108.686 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.66 156.96 61.12 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.555 2.17 . . . . 0.0 112.909 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -55.58 -40.79 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.618 -0.676 . . . . 0.0 110.607 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.85 -2.3 2.48 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -81.16 -21.66 39.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.857 -1.378 . . . . 0.0 108.914 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.27 139.96 58.66 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.336 -0.852 . . . . 0.0 109.771 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 136.35 56.69 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.536 0.684 . . . . 0.0 109.837 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.29 -19.97 51.82 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.9 mm -98.52 116.87 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.253 -1.146 . . . . 0.0 108.174 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.01 177.08 38.08 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -58.03 -39.93 79.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.419 -1.048 . . . . 0.0 110.321 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.41 -43.82 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.064 -1.022 . . . . 0.0 109.419 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 73' ' ' GLN . 89.8 mt -67.64 -39.54 84.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -0.879 . . . . 0.0 109.659 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.06 -36.94 90.75 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.44 -39.74 92.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.404 -1.056 . . . . 0.0 110.685 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.27 -47.01 71.94 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.741 -1.225 . . . . 0.0 110.142 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 mt -60.02 -39.72 86.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.9 -1.125 . . . . 0.0 108.292 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.15 -40.62 90.49 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.948 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.31 -19.6 64.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.065 -1.022 . . . . 0.0 108.767 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.518 HH11 ' HG2' ' A' ' 37' ' ' ARG . 1.3 mmt-85 -89.95 1.26 56.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.513 -0.742 . . . . 0.0 110.684 -178.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.35 4.98 40.54 Favored Glycine 0 N--CA 1.505 3.24 0 O-C-N 120.969 -1.082 . . . . 0.0 111.836 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -103.77 73.57 1.18 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.889 -1.359 . . . . 0.0 108.618 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.63 -12.5 57.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.416 -0.803 . . . . 0.0 110.665 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.17 151.16 51.0 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 109.697 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.02 94.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.492 -0.755 . . . . 0.0 111.66 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -59.98 -19.6 53.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.501 -1.374 . . . . 0.0 110.959 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.1 t -79.08 -32.18 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 120.636 -1.29 . . . . 0.0 107.638 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.25 -39.48 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' HE3' ' A' ' 15' ' ' MET . 63.0 tp -59.94 -38.74 83.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.25 -43.61 74.95 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.08 -42.95 95.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.263 . . . . 0.0 109.529 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.99 -40.05 87.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.294 -0.879 . . . . 0.0 108.758 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.4 mt -67.63 -37.95 83.2 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.804 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -67.32 -26.78 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.097 -1.002 . . . . 0.0 110.932 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.69 12.44 10.7 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.98 -1.075 . . . . 0.0 111.232 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt 47.95 38.77 9.81 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.643 -1.286 . . . . 0.0 110.01 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 60.09 20.16 9.39 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.566 -0.709 . . . . 0.0 110.553 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -67.4 106.72 2.19 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.58 -1.325 . . . . 0.0 108.288 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.3 -40.84 96.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.323 -0.86 . . . . 0.0 112.745 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.28 -39.12 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.434 -1.416 . . . . 0.0 109.528 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.88 -39.81 76.08 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.021 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.66 -48.78 73.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.257 -0.902 . . . . 0.0 109.773 178.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -59.98 -47.42 85.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.379 -0.826 . . . . 0.0 110.415 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.09 -37.5 87.69 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.18 -0.95 . . . . 0.0 109.44 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -63.72 -47.51 80.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.242 -0.911 . . . . 0.0 111.45 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.01 -46.74 67.21 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.053 -1.029 . . . . 0.0 110.704 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -61.38 -47.83 84.02 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.028 -1.045 . . . . 0.0 110.338 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -70.03 -26.54 64.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.301 -0.875 . . . . 0.0 109.734 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -80.48 -33.47 36.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.189 -0.944 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.6 p -132.3 -26.94 1.83 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.624 -1.298 . . . . 0.0 111.938 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.33 13.77 27.71 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.83 153.85 1.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.084 -1.245 . . . . 0.0 109.061 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.07 171.73 9.34 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.988 -1.07 . . . . 0.0 109.83 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.97 74.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.581 -0.699 . . . . 0.0 110.694 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -71.69 -40.1 69.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.857 -1.152 . . . . 0.0 109.736 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' NE2' HD11 ' A' ' 30' ' ' LEU . 96.8 mt-30 -65.45 -39.64 92.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.476 -0.765 . . . . 0.0 109.749 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.2 m -63.36 -39.98 96.01 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.499 -0.75 . . . . 0.0 110.576 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.22 -38.43 83.36 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.765 -1.209 . . . . 0.0 110.167 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -67.94 -39.79 83.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.59 -1.319 . . . . 0.0 110.808 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -68.3 -40.11 81.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.73 -1.231 . . . . 0.0 110.253 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.32 -60.33 4.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.628 -1.295 . . . . 0.0 110.459 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.65 -32.17 77.65 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.7 t -70.55 -47.61 59.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.0 -1.294 . . . . 0.0 110.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.01 -40.03 75.48 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 118.921 -1.112 . . . . 0.0 109.034 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -62.11 -40.04 94.54 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.279 -0.888 . . . . 0.0 110.569 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 95.1 mt-10 -70.01 -38.33 75.92 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.057 -1.027 . . . . 0.0 111.218 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.63 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.1 t90 -61.47 -45.05 95.89 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.446 -1.409 . . . . 0.0 109.161 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.45 -40.11 93.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.0 110.225 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -58.61 -29.59 66.58 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.41 -34.63 12.04 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.203 -0.936 . . . . 0.0 111.499 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.63 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 83.3 m-85 -109.96 -10.86 14.7 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.157 -0.964 . . . . 0.0 113.366 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.8 tp . . . . . 0 N--CA 1.504 2.228 0 O-C-N 120.278 -1.514 . . . . 0.0 109.487 -179.604 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ptm . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.415 0.626 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 88.7 m -65.8 143.99 57.14 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.129 -0.982 . . . . 0.0 109.612 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.4 p -70.09 159.98 32.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.345 -0.847 . . . . 0.0 109.776 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.5 m -79.3 168.4 19.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.26 -0.9 . . . . 0.0 109.374 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -66.08 -20.11 66.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.547 -0.721 . . . . 0.0 110.207 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -39.4 94.11 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.193 -0.942 . . . . 0.0 109.835 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.427 ' O ' HG22 ' B' ' 11' ' ' VAL . 72.2 t60 -60.02 -50.23 74.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.119 -0.988 . . . . 0.0 110.62 -178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 99.2 mtt180 -70.04 -33.51 72.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.017 -1.052 . . . . 0.0 109.991 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -70.91 -39.98 72.42 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.372 -0.83 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -66.99 -44.42 80.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.102 -0.999 . . . . 0.0 110.468 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 7' ' ' HIS . 14.2 m -85.14 14.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.976 -1.078 . . . . 0.0 110.301 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -110.95 -10.51 14.39 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.381 -0.824 . . . . 0.0 110.515 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -153.85 152.1 26.24 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 120.936 -1.102 . . . . 0.0 109.111 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.44 160.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.024 1.816 . . . . 0.0 112.101 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.557 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.8 ptp -88.83 -20.8 24.2 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.068 -1.02 . . . . 0.0 109.637 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.04 -140.0 12.54 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.47 30.07 5.99 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.463 -1.022 . . . . 0.0 110.454 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -60.85 149.8 79.22 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 120.869 -1.145 . . . . 0.0 108.664 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.67 156.86 61.71 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.503 2.135 . . . . 0.0 112.984 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -55.31 -40.99 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.638 -0.664 . . . . 0.0 110.637 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.78 -2.26 2.41 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 72.9 m -81.28 -21.42 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.807 -1.408 . . . . 0.0 108.96 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.56 139.85 58.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.274 -0.891 . . . . 0.0 109.744 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 136.29 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.649 0.738 . . . . 0.0 109.869 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.5 -20.01 51.39 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.4 117.13 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.195 -1.179 . . . . 0.0 108.187 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.06 177.2 38.08 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -58.09 -40.03 80.09 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -1.012 . . . . 0.0 110.265 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.25 -43.89 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.494 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.44 HD11 ' NE2' ' B' ' 73' ' ' GLN . 90.9 mt -67.62 -39.59 84.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.621 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.19 -36.91 90.78 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -65.34 -39.98 93.06 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -1.041 . . . . 0.0 110.649 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.91 -47.15 72.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.862 -1.149 . . . . 0.0 110.193 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.01 -39.76 86.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.953 -1.092 . . . . 0.0 108.298 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.06 -19.56 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.061 -1.024 . . . . 0.0 108.896 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.514 HH11 ' HG2' ' B' ' 37' ' ' ARG . 1.3 mmt-85 -90.03 1.38 56.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.452 -0.78 . . . . 0.0 110.593 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.29 5.06 40.62 Favored Glycine 0 N--CA 1.505 3.266 0 O-C-N 121.039 -1.038 . . . . 0.0 111.797 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -103.87 73.57 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.792 -1.416 . . . . 0.0 108.549 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.76 -12.68 57.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.44 -0.788 . . . . 0.0 110.651 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -130.06 151.3 50.76 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.153 -0.967 . . . . 0.0 109.613 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.06 94.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.615 -0.678 . . . . 0.0 111.606 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -59.99 -19.66 53.54 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.583 -1.323 . . . . 0.0 110.949 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.89 -32.35 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.09 -39.56 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.557 HD22 ' CE ' ' B' ' 15' ' ' MET . 63.3 tp -59.98 -38.63 83.13 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.35 -43.65 76.03 Favored Glycine 0 N--CA 1.484 1.887 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -60.1 -42.84 95.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.075 -1.25 . . . . 0.0 109.491 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.0 -39.93 87.46 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.15 -0.969 . . . . 0.0 108.827 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.86 -37.82 82.31 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 69.5 t -67.34 -26.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.217 -0.927 . . . . 0.0 110.956 -179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.0 12.59 10.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.973 -1.079 . . . . 0.0 111.109 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 47.81 38.83 9.43 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.614 -1.304 . . . . 0.0 110.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 59.93 20.01 9.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.676 -0.64 . . . . 0.0 110.64 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -66.96 107.02 2.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.634 -1.291 . . . . 0.0 108.235 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.82 -40.73 95.68 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.31 -0.869 . . . . 0.0 112.699 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -68.18 -39.21 82.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.435 -1.415 . . . . 0.0 109.578 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.29 -2.003 0 C-N-CA 119.2 -1.0 . . . . 0.0 109.005 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -64.59 -48.85 73.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.086 -1.009 . . . . 0.0 109.729 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -59.99 -47.53 85.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 110.423 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.87 -37.5 87.61 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.87 -47.42 80.75 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.409 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.6 tp -69.13 -46.56 67.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.015 -1.053 . . . . 0.0 110.72 -178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.46 -47.96 83.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.004 -1.06 . . . . 0.0 110.265 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.88 -26.8 64.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.753 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -80.37 -33.33 37.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.26 -0.9 . . . . 0.0 111.263 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -132.24 -27.4 1.8 Allowed 'General case' 0 N--CA 1.504 2.24 0 O-C-N 120.549 -1.344 . . . . 0.0 111.878 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.67 13.85 26.83 Favored Glycine 0 N--CA 1.499 2.837 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.88 153.76 1.68 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.105 -1.233 . . . . 0.0 109.019 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -90.05 171.76 9.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.996 -1.065 . . . . 0.0 109.87 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.75 -33.89 74.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.569 -0.707 . . . . 0.0 110.704 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.69 -40.14 69.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.916 -1.115 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' B' ' 30' ' ' LEU . 96.9 mt-30 -65.46 -39.72 92.33 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.451 -0.78 . . . . 0.0 109.795 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 52.4 m -63.17 -39.99 96.25 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.611 -0.68 . . . . 0.0 110.441 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.46 -38.25 83.57 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.828 -1.17 . . . . 0.0 110.228 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -67.98 -39.76 83.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.485 -1.385 . . . . 0.0 110.87 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -40.04 81.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.775 -1.203 . . . . 0.0 110.209 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.35 -60.34 4.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.66 -1.275 . . . . 0.0 110.477 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.68 -32.03 77.31 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 45.6 t -70.47 -47.61 59.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.069 -1.253 . . . . 0.0 110.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.111 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -62.22 -40.1 95.01 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.321 -0.862 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.401 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 94.9 mt-10 -69.97 -38.43 76.06 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.997 -1.064 . . . . 0.0 111.229 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.614 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.1 t90 -61.42 -45.05 95.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.515 -1.366 . . . . 0.0 109.197 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.405 ' SG ' HD11 ' B' ' 46' ' ' LEU . 68.0 m -61.56 -39.95 92.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.515 -0.741 . . . . 0.0 110.221 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -58.84 -29.42 66.91 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.079 -1.013 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.44 -34.81 11.96 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.216 -0.927 . . . . 0.0 111.464 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.614 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 83.5 m-85 -109.79 -11.0 14.75 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.231 -0.918 . . . . 0.0 113.374 -176.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 16.6 tp . . . . . 0 N--CA 1.504 2.23 0 O-C-N 120.288 -1.507 . . . . 0.0 109.442 -179.627 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttm . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -70.04 -77.47 0.08 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.334 -0.854 . . . . 0.0 109.331 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -74.43 153.85 39.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.257 -0.902 . . . . 0.0 109.531 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.9 m -78.31 166.82 22.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.339 -0.851 . . . . 0.0 109.443 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -58.48 -19.6 38.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.619 -0.675 . . . . 0.0 110.374 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.32 -39.13 92.01 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.974 -1.078 . . . . 0.0 109.671 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -58.25 -50.59 73.03 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.126 -0.984 . . . . 0.0 110.36 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -33.06 71.6 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.003 -1.06 . . . . 0.0 110.088 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.24 -39.47 75.01 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 110.328 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CE2' ' CD1' ' A' ' 84' ' ' TRP . 57.0 t80 -67.93 -41.05 83.19 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.14 -0.975 . . . . 0.0 110.864 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.9 m -82.58 14.59 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 120.974 -1.078 . . . . 0.0 109.942 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.69 -6.89 9.65 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.486 -0.759 . . . . 0.0 110.692 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.25 151.92 32.43 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 120.834 -1.166 . . . . 0.0 109.755 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.33 156.58 0.53 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.824 1.683 . . . . 0.0 111.666 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.439 ' CE ' HD22 ' A' ' 46' ' ' LEU . 10.6 ptp -90.14 -24.52 21.05 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.048 -1.032 . . . . 0.0 109.618 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.23 -138.23 39.96 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.64 32.24 4.22 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.479 -1.012 . . . . 0.0 110.346 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 149.88 83.14 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.066 . . . . 0.0 109.116 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.09 157.33 62.23 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.384 2.056 . . . . 0.0 112.668 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.3 p -55.49 -45.5 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.532 -0.73 . . . . 0.0 110.321 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -57.93 -3.79 1.34 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 20' ' ' VAL . 35.5 t -81.53 -23.02 37.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.843 -1.387 . . . . 0.0 108.74 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.98 139.78 58.8 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.319 -0.863 . . . . 0.0 109.139 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.37 136.99 57.2 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.739 0.781 . . . . 0.0 110.14 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.45 53.26 Favored Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.93 119.87 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.168 -1.196 . . . . 0.0 108.51 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.03 176.13 37.21 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.747 -1.221 . . . . 0.0 110.055 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.06 -39.99 75.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.671 -0.9 . . . . 0.0 110.299 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.92 -42.79 85.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 120.932 -1.105 . . . . 0.0 109.638 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 27' ' ' GLY . 93.3 mt -67.37 -38.93 85.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.1 -39.96 96.49 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.95 -40.03 96.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.241 -1.152 . . . . 0.0 111.143 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.57 -43.41 76.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.533 -1.355 . . . . 0.0 109.781 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.24 -39.95 96.07 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 108.73 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.97 -41.36 91.79 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.726 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.49 -21.55 66.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.94 . . . . 0.0 109.461 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH1' HG23 ' A' ' 66' ' ' THR . 46.9 mtp180 -90.9 4.48 51.75 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.27 -0.894 . . . . 0.0 111.021 -178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.89 4.86 45.03 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 120.931 -1.106 . . . . 0.0 111.984 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -103.84 72.32 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.857 -1.378 . . . . 0.0 107.697 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.05 -9.7 59.72 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.971 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.08 157.89 45.68 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.949 -1.094 . . . . 0.0 110.489 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.44 91.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.678 -0.639 . . . . 0.0 112.636 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -59.91 -18.41 44.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.381 -1.449 . . . . 0.0 111.011 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 t -77.2 -32.06 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.94 -37.02 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.439 HD22 ' CE ' ' A' ' 15' ' ' MET . 16.6 tp -60.0 -39.0 84.26 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.57 98.43 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.97 -41.84 92.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.411 . . . . 0.0 108.751 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -60.07 -40.9 91.1 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.11 -37.69 81.45 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.57 -27.36 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.456 -0.777 . . . . 0.0 110.01 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.72 13.91 13.11 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.109 -0.994 . . . . 0.0 110.218 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 47.25 40.48 10.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.826 -1.171 . . . . 0.0 110.313 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 59.95 20.82 9.85 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.54 -0.725 . . . . 0.0 110.7 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.06 112.31 4.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.447 -1.408 . . . . 0.0 108.659 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 86.5 tt0 -66.27 -41.49 89.79 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.423 -0.798 . . . . 0.0 112.87 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.67 -39.53 76.96 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.84 -1.163 . . . . 0.0 110.394 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.57 -39.26 77.47 Favored 'General case' 0 C--N 1.294 -1.838 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.081 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -63.62 -47.53 81.01 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.381 -0.824 . . . . 0.0 109.611 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 98.6 mtt180 -60.12 -47.38 86.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.925 . . . . 0.0 110.879 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.75 -38.98 93.13 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.72 -1.238 . . . . 0.0 109.297 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.402 ' O ' ' OG1' ' A' ' 66' ' ' THR . 59.6 t90 -64.42 -48.08 76.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.178 -0.951 . . . . 0.0 111.171 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.93 -46.25 75.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.911 -1.118 . . . . 0.0 110.642 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.18 -46.79 89.03 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.078 -1.014 . . . . 0.0 110.096 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.75 -27.79 65.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.594 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.458 HG23 ' NH1' ' A' ' 37' ' ' ARG . 96.6 m -75.97 -37.39 58.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.285 -0.884 . . . . 0.0 110.736 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.0 p -131.43 -28.56 1.86 Allowed 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.607 -1.308 . . . . 0.0 112.249 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.0 16.75 12.87 Favored Glycine 0 N--CA 1.5 2.961 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.5 151.79 2.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.353 -1.086 . . . . 0.0 110.151 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.19 170.11 10.28 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.324 -0.86 . . . . 0.0 109.704 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.92 -34.38 73.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.466 -0.771 . . . . 0.0 110.701 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -70.92 -43.41 68.31 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.799 -1.188 . . . . 0.0 110.599 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.32 -31.71 72.18 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.203 -0.935 . . . . 0.0 110.376 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -68.69 -37.63 79.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.056 -1.028 . . . . 0.0 109.814 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.63 -39.1 87.01 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.017 -1.052 . . . . 0.0 110.192 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.44 -39.92 85.41 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.564 -1.335 . . . . 0.0 110.755 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.98 75.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.761 -1.212 . . . . 0.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.4 -60.06 4.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.653 -1.279 . . . . 0.0 110.11 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -61.41 -33.32 84.23 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.0 t -67.32 -46.56 73.11 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.747 -1.443 . . . . 0.0 109.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.03 -39.11 75.95 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.038 -1.065 . . . . 0.0 108.735 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -59.99 -43.42 95.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.277 -0.889 . . . . 0.0 110.475 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' O ' ' A' ' 79' ' ' GLY . 1.1 mp0 -70.61 -37.39 73.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.107 -0.996 . . . . 0.0 110.902 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.561 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 71.3 t90 -60.07 -44.75 94.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.424 -1.422 . . . . 0.0 108.356 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -39.98 93.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.547 -0.721 . . . . 0.0 109.367 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.98 -33.89 72.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.486 -0.759 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.25 -39.07 18.17 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.13 -0.981 . . . . 0.0 110.626 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.165 -0.96 . . . . 0.0 110.643 -178.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.279 -179.78 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttm . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 25.3 m -70.07 -77.56 0.08 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.263 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 66.7 p -74.38 153.75 39.13 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.319 -0.863 . . . . 0.0 109.573 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 31.9 m -78.22 166.79 22.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.233 -0.917 . . . . 0.0 109.46 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -58.47 -19.52 37.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.678 -0.639 . . . . 0.0 110.488 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.44 -39.08 92.18 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.99 -1.069 . . . . 0.0 109.648 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -58.25 -50.61 72.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.133 -0.979 . . . . 0.0 110.405 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.96 -32.98 71.5 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.031 -1.043 . . . . 0.0 110.152 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -70.33 -39.44 74.74 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.323 -0.86 . . . . 0.0 110.367 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' B' ' 84' ' ' TRP . 57.0 t80 -67.9 -41.01 83.37 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.173 -0.955 . . . . 0.0 110.886 -178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -82.72 14.77 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.048 -1.033 . . . . 0.0 109.854 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.78 -7.0 9.61 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.518 -0.739 . . . . 0.0 110.619 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -150.16 151.91 32.63 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.75 -1.219 . . . . 0.0 109.815 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -46.35 156.67 0.53 Allowed 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 121.856 1.704 . . . . 0.0 111.675 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.445 ' CE ' HD22 ' B' ' 46' ' ' LEU . 10.6 ptp -90.17 -24.53 21.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.027 -1.046 . . . . 0.0 109.563 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.05 -138.23 39.29 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -104.53 32.26 4.19 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.54 -0.976 . . . . 0.0 110.328 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.62 149.91 82.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.988 -1.07 . . . . 0.0 109.168 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.09 157.42 61.79 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.336 2.024 . . . . 0.0 112.666 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.498 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.4 p -55.47 -45.55 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.553 -0.717 . . . . 0.0 110.32 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.498 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -57.87 -3.78 1.32 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.258 -1.137 . . . . 0.0 110.258 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' ' 20' ' ' VAL . 35.5 t -81.67 -22.86 37.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.828 -1.395 . . . . 0.0 108.721 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.21 139.74 58.8 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.375 -0.828 . . . . 0.0 109.097 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 136.97 57.23 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.667 0.746 . . . . 0.0 110.174 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.75 -19.32 53.89 Favored Glycine 0 N--CA 1.498 2.784 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mm -99.97 119.89 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.152 -1.205 . . . . 0.0 108.548 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.424 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.03 176.15 37.23 Favored Glycine 0 N--CA 1.492 2.406 0 O-C-N 120.739 -1.226 . . . . 0.0 110.061 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -57.03 -39.96 75.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.61 -0.935 . . . . 0.0 110.422 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -67.88 -42.95 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.924 -1.11 . . . . 0.0 109.64 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.424 HD12 ' H ' ' B' ' 27' ' ' GLY . 93.3 mt -67.12 -39.06 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.361 -0.837 . . . . 0.0 109.683 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.13 -39.93 96.5 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -63.04 -40.01 96.45 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.276 -1.132 . . . . 0.0 111.138 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.43 -43.47 77.08 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.426 -1.421 . . . . 0.0 109.847 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.23 -39.97 96.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.074 -1.016 . . . . 0.0 108.752 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.98 -41.23 91.54 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.842 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.58 -21.61 66.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.275 -0.891 . . . . 0.0 109.454 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.464 ' NH1' HG23 ' B' ' 66' ' ' THR . 46.9 mtp180 -90.81 4.57 51.36 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.298 -0.876 . . . . 0.0 111.142 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.94 45.16 Favored Glycine 0 N--CA 1.503 3.121 0 O-C-N 120.926 -1.109 . . . . 0.0 111.951 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -103.97 72.36 1.09 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.744 -1.445 . . . . 0.0 107.684 178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 42.9 p-10 -80.17 -9.49 59.72 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.938 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.22 157.85 45.74 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.026 -1.046 . . . . 0.0 110.555 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.39 91.62 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -60.03 -18.32 45.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.46 -1.4 . . . . 0.0 111.001 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 31.2 t -77.16 -32.03 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.3 t -77.99 -36.93 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.445 HD22 ' CE ' ' B' ' 15' ' ' MET . 16.6 tp -60.04 -39.12 84.84 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.67 98.31 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -59.95 -41.84 92.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.988 -1.301 . . . . 0.0 108.655 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.08 -40.83 90.92 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.18 -37.75 81.3 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.46 -27.36 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.438 -0.789 . . . . 0.0 110.021 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.87 14.13 12.82 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.092 -1.005 . . . . 0.0 110.284 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt 47.15 40.46 10.01 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.822 -1.174 . . . . 0.0 110.361 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 60.11 20.51 9.75 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.567 -0.708 . . . . 0.0 110.612 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -67.84 112.3 4.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.551 -1.343 . . . . 0.0 108.606 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.53 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 86.5 tt0 -66.35 -41.53 89.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.524 -0.735 . . . . 0.0 112.822 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.63 -39.43 77.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.816 -1.178 . . . . 0.0 110.374 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.73 -39.17 76.97 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.07 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.68 -47.54 80.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.653 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.53 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 98.6 mtt180 -59.94 -47.72 84.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.24 -0.913 . . . . 0.0 110.876 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -63.47 -38.97 93.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.686 -1.259 . . . . 0.0 109.48 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.435 ' O ' ' OG1' ' B' ' 66' ' ' THR . 59.6 t90 -64.42 -48.07 76.75 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -66.98 -46.3 75.03 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.925 -1.109 . . . . 0.0 110.663 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -61.12 -46.86 88.85 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.112 -0.992 . . . . 0.0 110.131 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -69.52 -28.01 65.66 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.329 -0.857 . . . . 0.0 109.675 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.464 HG23 ' NH1' ' B' ' 37' ' ' ARG . 96.6 m -75.93 -37.4 58.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.338 -0.851 . . . . 0.0 110.772 -178.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.29 -28.73 1.87 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.606 -1.309 . . . . 0.0 112.355 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.8 12.63 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.85 3.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.265 -1.138 . . . . 0.0 110.061 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -91.17 170.07 10.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.25 -0.906 . . . . 0.0 109.657 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.18 72.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.487 -0.758 . . . . 0.0 110.803 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -71.12 -43.27 67.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.717 -1.239 . . . . 0.0 110.585 -178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -67.4 -31.75 72.18 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.17 -0.956 . . . . 0.0 110.341 -178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 25.6 p -68.68 -37.62 79.72 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.062 -1.024 . . . . 0.0 109.811 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.69 -38.92 86.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.066 -1.021 . . . . 0.0 110.289 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -67.6 -40.01 84.75 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.656 -1.277 . . . . 0.0 110.684 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -70.0 -39.94 75.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.873 -1.142 . . . . 0.0 110.519 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -60.38 -60.02 4.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.661 -1.274 . . . . 0.0 110.206 -178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.447 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -61.56 -33.07 83.57 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 50.4 t -67.5 -46.6 72.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.788 -1.419 . . . . 0.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.03 -39.15 75.94 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.034 -1.067 . . . . 0.0 108.753 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -60.0 -43.12 95.38 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.158 -0.964 . . . . 0.0 110.494 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.447 ' OE2' ' O ' ' B' ' 79' ' ' GLY . 0.9 OUTLIER -71.06 -37.2 72.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.11 -0.994 . . . . 0.0 110.654 -179.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.559 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 72.1 t90 -60.13 -44.72 94.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.366 -1.459 . . . . 0.0 108.314 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 64.2 m -61.76 -40.01 93.62 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.609 -0.682 . . . . 0.0 109.288 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -33.76 72.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.453 -0.779 . . . . 0.0 109.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.35 -39.15 17.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.16 -0.962 . . . . 0.0 110.552 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.7 m-85 -103.16 -83.62 0.48 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.136 -0.977 . . . . 0.0 110.606 -178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.08 -1.013 . . . . 0.0 109.312 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.191 0.519 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.1 p -80.12 160.53 25.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.21 -0.931 . . . . 0.0 109.85 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.9 p -76.77 162.7 27.46 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.409 -0.807 . . . . 0.0 109.581 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.5 t -64.28 150.75 45.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.42 -0.8 . . . . 0.0 108.906 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -59.0 -19.46 43.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.507 -0.745 . . . . 0.0 110.551 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.13 -37.3 87.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.999 -1.063 . . . . 0.0 109.362 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.533 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 74.4 t60 -59.27 -50.3 74.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 110.422 -178.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 8' ' ' ARG . 52.9 mtm-85 -70.08 -31.09 68.5 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.199 -0.938 . . . . 0.0 109.781 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -73.92 -39.51 63.77 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.351 -0.843 . . . . 0.0 110.165 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -66.32 -39.99 89.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.028 -1.045 . . . . 0.0 109.978 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 m -84.08 18.68 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.021 -1.049 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.01 -7.21 9.95 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.58 -0.7 . . . . 0.0 110.451 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.63 153.32 31.84 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 120.787 -1.196 . . . . 0.0 109.894 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.25 158.91 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.85 1.7 . . . . 0.0 111.722 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.608 ' CE ' HD22 ' A' ' 46' ' ' LEU . 6.9 ptp -88.47 -20.44 25.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.916 -1.115 . . . . 0.0 109.066 179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.42 -140.58 13.72 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.88 29.52 6.21 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.594 -0.945 . . . . 0.0 110.162 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -60.93 149.48 80.94 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.929 -1.107 . . . . 0.0 108.717 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -67.38 158.68 55.87 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.491 2.127 . . . . 0.0 112.779 -178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 21' ' ' GLY . 5.2 p -55.67 -42.64 70.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.681 -0.637 . . . . 0.0 111.075 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -61.38 -2.65 3.26 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 t -82.67 -23.74 34.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.847 -1.384 . . . . 0.0 109.344 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.45 138.87 58.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.357 -0.84 . . . . 0.0 109.38 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.05 135.89 56.11 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.663 0.744 . . . . 0.0 109.986 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -19.56 48.12 Favored Glycine 0 N--CA 1.5 2.924 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 mm -99.5 120.82 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.227 -1.16 . . . . 0.0 108.37 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.79 175.34 35.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -40.01 82.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.234 -1.157 . . . . 0.0 110.201 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -46.89 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.97 -1.081 . . . . 0.0 109.586 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.1 -37.97 84.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.02 95.09 Favored Glycine 0 N--CA 1.488 2.107 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -64.98 -39.42 93.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -1.18 . . . . 0.0 110.6 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.72 -45.43 82.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.724 -1.235 . . . . 0.0 109.671 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.43 -37.35 85.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.899 -1.126 . . . . 0.0 108.866 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.95 -40.48 89.14 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.912 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.46 -19.19 64.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.212 -0.93 . . . . 0.0 108.925 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -90.13 1.25 56.6 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.521 -0.737 . . . . 0.0 110.602 -178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.73 4.51 45.73 Favored Glycine 0 N--CA 1.504 3.215 0 O-C-N 120.926 -1.109 . . . . 0.0 112.148 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -104.4 74.08 1.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.82 -1.4 . . . . 0.0 107.928 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -82.61 -10.73 58.83 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.932 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -135.78 156.4 48.87 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.074 -1.016 . . . . 0.0 110.019 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.22 95.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.705 -0.622 . . . . 0.0 112.677 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.21 -19.96 62.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.452 -1.405 . . . . 0.0 111.259 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.4 t -77.35 -31.91 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -75.15 -38.28 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD22 ' CE ' ' A' ' 15' ' ' MET . 66.1 tp -59.99 -40.0 87.69 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.36 84.14 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.2 -43.1 96.19 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.958 -1.319 . . . . 0.0 109.236 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -60.03 -39.96 87.68 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.382 -0.824 . . . . 0.0 108.891 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.7 -37.42 82.26 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.643 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.59 -28.23 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.55 13.13 12.73 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.084 -1.01 . . . . 0.0 110.451 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.23 40.45 10.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.654 -1.279 . . . . 0.0 110.533 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.4 20.01 9.64 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.568 -0.708 . . . . 0.0 111.039 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -70.02 107.85 3.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.492 -1.38 . . . . 0.0 108.305 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.71 -40.03 95.78 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.23 -39.99 78.21 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.523 -1.361 . . . . 0.0 110.342 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.89 -38.89 76.47 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.126 -1.03 . . . . 0.0 109.043 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -63.94 -48.93 74.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.365 -0.835 . . . . 0.0 109.575 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -59.97 -46.77 88.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.296 -0.877 . . . . 0.0 110.797 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.19 -37.12 85.98 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.815 -1.178 . . . . 0.0 108.973 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -64.44 -46.32 83.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.927 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.4 tp -69.33 -47.53 64.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.855 -1.153 . . . . 0.0 110.688 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.95 -49.49 77.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.087 -1.008 . . . . 0.0 110.313 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -69.76 -25.7 63.94 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.375 -0.828 . . . . 0.0 109.711 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 m -80.59 -34.64 35.06 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 0.0 111.424 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.3 p -132.99 -29.64 1.44 Allowed 'General case' 0 N--CA 1.504 2.235 0 O-C-N 120.464 -1.398 . . . . 0.0 112.004 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.5 14.42 18.05 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.09 153.45 3.57 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.903 -1.351 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.22 172.98 8.17 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.165 -0.959 . . . . 0.0 109.845 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.73 72.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.494 -0.754 . . . . 0.0 111.641 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CB ' ' HZ2' ' A' ' 72' ' ' LYS . 8.1 ttpm? -71.31 -42.93 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.43 -1.419 . . . . 0.0 110.722 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -66.84 -35.48 80.15 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.076 -1.015 . . . . 0.0 110.576 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 t -67.17 -38.6 85.71 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.971 -1.081 . . . . 0.0 110.246 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.97 -37.29 79.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.81 -1.181 . . . . 0.0 109.853 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -69.73 -37.61 76.57 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.617 -1.302 . . . . 0.0 110.735 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.95 -41.23 78.3 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.654 -1.279 . . . . 0.0 109.702 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.72 -59.57 5.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.694 -1.254 . . . . 0.0 109.843 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.92 -33.27 77.98 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.16 -49.98 62.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.07 -1.253 . . . . 0.0 109.6 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.09 -40.04 75.21 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.562 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -60.04 -42.98 95.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 109.984 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.533 ' OE1' ' NE2' ' A' ' 7' ' ' HIS . 92.5 mt-10 -69.99 -37.55 75.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.194 -0.941 . . . . 0.0 110.849 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 78.2 t90 -60.02 -42.97 95.49 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.447 -1.408 . . . . 0.0 107.547 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.66 -40.09 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.747 . . . . 0.0 109.258 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.27 -35.09 74.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 0.0 110.239 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.74 -36.78 18.45 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.113 -0.992 . . . . 0.0 110.372 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.2 m-85 -105.81 -86.92 0.47 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.354 -178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.056 -1.028 . . . . 0.0 109.202 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.231 0.539 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 36.9 p -79.99 160.44 25.9 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.152 -0.968 . . . . 0.0 109.882 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -76.62 162.5 27.7 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.314 -0.866 . . . . 0.0 109.595 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 35.4 t -64.12 150.82 44.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.384 -0.823 . . . . 0.0 108.951 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -59.19 -19.35 44.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.588 -0.695 . . . . 0.0 110.49 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.16 -37.24 86.76 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 109.439 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.53 ' NE2' ' OE1' ' B' ' 83' ' ' GLU . 74.7 t60 -59.21 -50.54 73.63 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.191 -0.943 . . . . 0.0 110.417 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.401 ' HG3' HH11 ' B' ' 8' ' ' ARG . 53.0 mtm-85 -69.96 -31.16 68.75 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.304 -0.872 . . . . 0.0 109.827 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.9 -39.41 63.9 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.401 -0.812 . . . . 0.0 110.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -66.43 -40.0 89.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 m -83.83 18.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.976 -1.077 . . . . 0.0 109.383 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.85 -7.05 10.04 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.482 -0.761 . . . . 0.0 110.467 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -151.78 153.4 31.7 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.799 -1.188 . . . . 0.0 109.865 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.32 158.88 0.19 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.896 1.731 . . . . 0.0 111.718 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.615 ' CE ' HD22 ' B' ' 46' ' ' LEU . 6.8 ptp -88.4 -20.6 25.05 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.977 -1.077 . . . . 0.0 109.06 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -140.4 15.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -105.14 29.53 6.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.986 . . . . 0.0 110.14 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -60.96 149.27 81.87 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 120.999 -1.063 . . . . 0.0 108.827 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -67.3 158.59 56.28 Favored 'Trans proline' 0 N--CA 1.497 1.714 0 C-N-CA 122.502 2.135 . . . . 0.0 112.831 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.421 HG13 ' N ' ' B' ' 21' ' ' GLY . 5.3 p -55.45 -42.91 69.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.688 -0.632 . . . . 0.0 111.06 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.421 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -61.08 -2.92 3.08 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 121.066 -1.021 . . . . 0.0 110.614 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -82.46 -23.67 34.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.751 -1.44 . . . . 0.0 109.411 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.45 138.79 58.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.458 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 136.19 56.46 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.645 0.736 . . . . 0.0 109.873 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.99 -19.47 49.21 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -99.66 120.83 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.179 -1.189 . . . . 0.0 108.381 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.68 175.38 35.58 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.491 -1.443 . . . . 0.0 109.491 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.62 -40.07 82.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.259 -1.142 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.58 -46.76 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.929 -1.107 . . . . 0.0 109.615 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -37.83 83.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.215 -0.928 . . . . 0.0 109.467 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.95 -39.1 95.14 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -64.9 -39.3 93.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.338 -1.095 . . . . 0.0 110.621 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.84 -45.47 82.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.641 -1.287 . . . . 0.0 109.591 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.47 -37.31 85.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.946 -1.096 . . . . 0.0 108.86 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.02 -40.57 89.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 0.0 109.948 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.36 -19.02 64.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.23 -0.918 . . . . 0.0 108.971 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -90.22 1.15 56.77 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 110.598 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.84 4.49 45.38 Favored Glycine 0 N--CA 1.504 3.208 0 O-C-N 120.942 -1.099 . . . . 0.0 112.076 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.29 73.98 1.16 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.837 -1.39 . . . . 0.0 107.911 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -82.48 -11.03 58.76 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.914 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -135.52 156.35 49.03 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.032 -1.042 . . . . 0.0 110.057 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.26 95.34 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.669 -0.645 . . . . 0.0 112.644 -177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -61.14 -19.95 62.11 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.429 -1.419 . . . . 0.0 111.349 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -77.26 -32.16 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.96 -38.35 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE ' ' B' ' 15' ' ' MET . 66.2 tp -59.98 -39.93 87.38 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.41 -44.02 85.04 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.914 -1.274 . . . . 0.0 109.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -60.58 -42.99 97.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.915 -1.344 . . . . 0.0 109.254 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.94 -39.99 87.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.473 -0.767 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.73 -37.23 81.91 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.476 -0.89 . . . . 0.0 108.643 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.81 -28.33 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.047 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.49 13.07 12.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.058 -1.026 . . . . 0.0 110.384 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 47.24 40.56 10.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.698 -1.251 . . . . 0.0 110.513 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt 60.47 20.03 9.75 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.506 -0.746 . . . . 0.0 111.06 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -70.17 107.58 3.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.453 -1.404 . . . . 0.0 108.438 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.56 -39.99 95.83 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.25 -40.04 78.11 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.468 -1.395 . . . . 0.0 110.436 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.6 mt -69.8 -39.09 76.77 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.002 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -63.8 -48.93 74.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 109.524 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -60.01 -46.48 89.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.844 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.47 -37.06 85.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.736 -1.228 . . . . 0.0 108.977 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.46 -46.38 83.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.879 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.29 -47.57 64.19 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.853 -1.155 . . . . 0.0 110.627 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -59.98 -49.55 77.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.032 -1.043 . . . . 0.0 110.224 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -69.67 -25.82 64.08 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.373 -0.829 . . . . 0.0 109.708 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.9 m -80.5 -34.71 35.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.0 111.501 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 p -132.97 -29.6 1.44 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.439 -1.413 . . . . 0.0 111.924 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.54 14.17 18.64 Favored Glycine 0 N--CA 1.501 3.006 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.99 153.37 3.46 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.913 -1.346 . . . . 0.0 109.815 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -91.11 172.96 8.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.19 -0.944 . . . . 0.0 109.821 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.25 -31.84 73.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.545 -0.722 . . . . 0.0 111.652 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.428 ' HZ3' HE22 ' B' ' 73' ' ' GLN . 8.1 ttpm? -71.34 -42.89 67.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.411 -1.431 . . . . 0.0 110.675 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.428 HE22 ' HZ3' ' B' ' 72' ' ' LYS . 5.5 mp0 -66.88 -35.34 79.8 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.959 -1.088 . . . . 0.0 110.592 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -67.2 -38.65 85.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.965 -1.084 . . . . 0.0 110.296 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.0 -37.45 79.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.765 -1.21 . . . . 0.0 109.744 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.52 -37.61 77.19 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 -179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.3 m -68.91 -41.29 78.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.673 -1.267 . . . . 0.0 109.732 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.64 -59.59 5.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.765 -1.209 . . . . 0.0 109.779 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.09 -33.07 77.94 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.1 t -67.25 -49.99 62.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.099 -1.236 . . . . 0.0 109.493 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.11 -39.98 75.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 118.979 -1.089 . . . . 0.0 109.639 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -60.02 -42.95 95.46 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.075 -1.016 . . . . 0.0 110.04 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.53 ' OE1' ' NE2' ' B' ' 7' ' ' HIS . 92.2 mt-10 -70.03 -37.55 75.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.176 -0.952 . . . . 0.0 110.777 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 78.3 t90 -60.03 -42.93 95.45 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.575 -1.328 . . . . 0.0 107.657 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 m -61.6 -40.08 93.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.588 -0.695 . . . . 0.0 109.284 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -60.29 -35.18 74.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.489 -0.757 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.67 -36.72 18.57 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.216 -0.928 . . . . 0.0 110.338 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 95.3 m-85 -105.92 -86.69 0.47 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.29 -0.881 . . . . 0.0 110.415 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.884 -1.055 . . . . 0.0 109.213 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.7 mtt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.3 p -87.81 -0.01 56.37 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.148 -0.97 . . . . 0.0 108.985 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -71.94 159.65 33.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 108.836 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.2 t -78.4 164.8 24.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.256 -0.903 . . . . 0.0 109.691 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -59.97 -25.37 65.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.827 -0.545 . . . . 0.0 110.145 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -60.46 -35.56 76.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.155 -0.966 . . . . 0.0 110.267 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.467 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 45.9 t60 -59.83 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.698 -1.251 . . . . 0.0 110.147 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.433 ' HG2' HH11 ' A' ' 8' ' ' ARG . 51.8 mtt-85 -69.99 -34.26 73.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.24 -0.913 . . . . 0.0 110.278 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -70.1 -37.28 75.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.314 -0.866 . . . . 0.0 109.653 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -62.89 -46.56 87.26 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.502 -0.749 . . . . 0.0 109.832 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 m -81.58 14.99 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.316 -0.865 . . . . 0.0 110.502 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.95 -9.45 14.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.304 -0.872 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.41 153.81 29.74 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.93 -1.106 . . . . 0.0 109.75 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -45.69 160.62 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.875 1.716 . . . . 0.0 111.622 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptp -90.46 -25.03 20.53 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.0 -1.062 . . . . 0.0 109.767 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.64 -136.84 31.89 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.191 -1.163 . . . . 0.0 110.191 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.58 29.91 6.16 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.448 -1.031 . . . . 0.0 110.648 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -60.49 148.54 80.41 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 120.747 -1.221 . . . . 0.0 108.269 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.34 155.89 67.8 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.12 1.88 . . . . 0.0 112.538 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.545 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -53.81 -46.99 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.621 -0.674 . . . . 0.0 110.834 -179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.545 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -54.69 -4.07 0.35 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 20' ' ' VAL . 33.8 t -81.14 -19.98 42.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.725 -1.456 . . . . 0.0 109.183 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.29 138.78 58.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.278 -0.889 . . . . 0.0 109.782 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.22 57.19 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 121.535 0.683 . . . . 0.0 109.719 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -20.0 52.18 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.4 mm -98.84 114.09 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.154 -1.204 . . . . 0.0 108.032 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.7 179.54 38.62 Favored Glycine 0 N--CA 1.495 2.6 0 O-C-N 120.594 -1.317 . . . . 0.0 110.205 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.513 -0.992 . . . . 0.0 110.169 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.22 -48.21 81.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.872 -1.143 . . . . 0.0 109.515 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.39 -37.41 85.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.181 -0.949 . . . . 0.0 109.226 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.46 -39.2 94.59 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.96 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.379 -1.071 . . . . 0.0 110.176 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -65.84 -47.53 74.65 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.918 -1.114 . . . . 0.0 109.487 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.39 -39.99 96.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.249 -0.907 . . . . 0.0 109.26 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.07 -41.05 91.58 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.539 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.35 -19.43 65.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.367 -0.833 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.7 mtt-85 -90.26 0.47 57.2 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 111.073 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.31 4.71 40.74 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 120.979 -1.075 . . . . 0.0 111.717 177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -104.99 73.73 1.07 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.818 -1.401 . . . . 0.0 108.251 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.05 -10.13 59.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.426 -0.796 . . . . 0.0 111.259 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -136.84 157.49 46.62 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.886 -1.134 . . . . 0.0 110.23 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.53 92.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -59.02 -19.24 41.92 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.415 -1.428 . . . . 0.0 111.2 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.4 t -77.86 -34.26 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.512 -1.367 . . . . 0.0 107.572 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -75.93 -34.49 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.06 -42.0 94.81 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.96 -45.49 92.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.947 -1.325 . . . . 0.0 109.096 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -60.04 -39.97 87.79 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.313 -0.867 . . . . 0.0 109.016 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.8 -38.64 80.1 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.43 -26.84 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.235 -0.915 . . . . 0.0 111.171 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.91 15.96 7.68 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.909 -1.12 . . . . 0.0 110.642 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? 50.8 33.22 8.16 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.027 -1.045 . . . . 0.0 110.835 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.06 19.97 9.15 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.486 -0.758 . . . . 0.0 111.013 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -69.22 117.32 10.71 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.417 -1.427 . . . . 0.0 108.46 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.06 -40.55 94.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.361 -0.837 . . . . 0.0 113.198 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -69.93 -39.27 76.22 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.311 -1.493 . . . . 0.0 110.675 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.7 mt -69.93 -39.32 76.18 Favored 'General case' 0 C--N 1.293 -1.857 0 C-N-CA 118.93 -1.108 . . . . 0.0 109.199 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -64.44 -49.52 71.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.897 . . . . 0.0 109.53 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -59.99 -47.19 86.83 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.74 -37.11 86.15 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.978 -1.076 . . . . 0.0 109.279 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 53.6 t90 -67.94 -42.78 80.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.2 -0.938 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 tp -69.38 -46.29 67.28 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.987 -1.07 . . . . 0.0 110.699 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.08 -48.9 78.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.139 -0.976 . . . . 0.0 110.533 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.85 -24.87 63.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 0.0 109.736 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.1 m -80.2 -34.22 37.58 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.163 -0.961 . . . . 0.0 110.934 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -133.06 -27.86 1.59 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 120.589 -1.319 . . . . 0.0 111.861 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.85 13.81 26.57 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.7 154.29 2.78 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.105 -1.232 . . . . 0.0 109.084 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.52 173.61 7.7 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.024 -1.048 . . . . 0.0 110.343 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -35.02 74.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.688 -0.632 . . . . 0.0 110.431 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.76 -40.95 72.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.72 -1.237 . . . . 0.0 110.034 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.39 -38.63 85.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.352 -0.842 . . . . 0.0 110.923 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.1 p -67.63 -38.07 83.37 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.184 -0.947 . . . . 0.0 110.475 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.0 -37.55 80.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.731 -1.231 . . . . 0.0 109.481 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -67.82 -39.94 83.86 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.709 -1.244 . . . . 0.0 110.785 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 66.6 m -68.8 -40.01 79.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.806 -1.184 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.402 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 66.4 t80 -59.48 -60.49 3.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.621 -1.3 . . . . 0.0 110.322 -178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.52 -31.55 74.99 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.53 -49.85 56.43 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.94 -1.329 . . . . 0.0 109.746 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.35 -40.04 70.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.97 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 82' ' ' ARG . 36.0 ttt-85 -62.94 -40.55 98.0 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.929 -1.107 . . . . 0.0 110.461 -179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 93.5 mt-10 -70.07 -38.5 75.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.165 -0.959 . . . . 0.0 110.544 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.637 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 89.6 t90 -62.39 -45.62 92.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.77 -1.206 . . . . 0.0 109.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.23 -40.1 89.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.332 -0.855 . . . . 0.0 109.571 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.2 -29.02 65.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 109.726 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.18 -34.46 12.24 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.202 -0.936 . . . . 0.0 110.974 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.637 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.4 m-85 -111.64 -9.99 14.12 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -176.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.504 2.249 0 O-C-N 120.156 -1.59 . . . . 0.0 109.488 -179.52 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 77.3 p -87.83 0.03 56.34 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.289 -0.882 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 44.6 p -71.94 159.7 33.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.303 -0.873 . . . . 0.0 108.941 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 37.1 t -78.39 164.93 24.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.204 -0.935 . . . . 0.0 109.657 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -60.01 -25.41 65.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.896 -0.502 . . . . 0.0 110.156 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.49 -35.61 76.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.059 -1.025 . . . . 0.0 110.258 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.463 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 46.3 t60 -59.76 -48.89 79.86 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.746 -1.221 . . . . 0.0 110.102 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 8' ' ' ARG . 51.8 mtt-85 -69.91 -34.32 73.34 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.19 -0.944 . . . . 0.0 110.255 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.08 -37.44 75.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.898 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -62.7 -46.68 87.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.473 -0.767 . . . . 0.0 109.805 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.67 15.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.253 -0.904 . . . . 0.0 110.474 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.97 -9.62 14.0 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -153.37 153.88 29.88 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.01 -1.056 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.68 160.69 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.908 1.739 . . . . 0.0 111.565 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ptp -90.6 -24.84 20.43 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.013 -1.054 . . . . 0.0 109.661 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 51.33 -136.83 30.59 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -105.49 29.93 6.12 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.406 -1.055 . . . . 0.0 110.593 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -60.52 148.68 80.31 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.756 -1.215 . . . . 0.0 108.271 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 155.93 67.83 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.14 1.893 . . . . 0.0 112.478 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.547 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.5 p -53.78 -47.07 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.57 -0.706 . . . . 0.0 110.823 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.547 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -54.73 -3.93 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 20' ' ' VAL . 34.0 t -81.32 -19.9 41.9 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.857 -1.378 . . . . 0.0 109.089 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.4 138.68 58.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 0.0 109.773 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 136.21 57.18 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.541 0.686 . . . . 0.0 109.76 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.42 -19.98 52.3 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mm -98.93 114.19 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.111 -1.229 . . . . 0.0 107.971 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.69 179.59 38.64 Favored Glycine 0 N--CA 1.495 2.592 0 O-C-N 120.625 -1.297 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.88 -40.0 83.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.537 -0.978 . . . . 0.0 110.119 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.28 -48.19 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.88 -1.137 . . . . 0.0 109.527 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.35 -37.48 85.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.221 -0.924 . . . . 0.0 109.264 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.4 -39.21 94.51 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.98 -39.99 95.38 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.427 -1.043 . . . . 0.0 110.132 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -65.94 -47.43 74.7 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.784 -1.198 . . . . 0.0 109.428 -178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.56 -39.96 95.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.206 -0.934 . . . . 0.0 109.164 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.06 -41.11 91.63 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.519 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.28 -19.5 65.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -90.26 0.59 57.15 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.526 -0.734 . . . . 0.0 111.018 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.27 4.68 40.86 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 120.819 -1.176 . . . . 0.0 111.706 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.96 73.7 1.08 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.79 -1.418 . . . . 0.0 108.284 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -82.16 -10.01 59.32 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.439 -0.788 . . . . 0.0 111.315 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -136.86 157.48 46.65 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.895 -1.128 . . . . 0.0 110.232 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.43 92.28 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -58.96 -19.41 42.87 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.369 -1.457 . . . . 0.0 111.1 -177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -77.9 -34.16 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.519 -1.363 . . . . 0.0 107.514 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.99 -34.46 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.01 -39.29 85.3 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.88 -42.07 94.5 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -59.98 -45.53 92.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.943 -1.328 . . . . 0.0 109.021 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.98 -39.99 87.57 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.386 -0.821 . . . . 0.0 109.06 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.75 -38.73 80.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.727 -0.789 . . . . 0.0 108.9 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.39 -26.74 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.263 -0.898 . . . . 0.0 111.162 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -89.03 16.12 7.58 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.868 -1.145 . . . . 0.0 110.579 -178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 50.56 33.34 7.84 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.913 -1.117 . . . . 0.0 110.813 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 91.9 mttt 60.0 19.98 9.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.612 -0.68 . . . . 0.0 111.024 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.24 117.28 10.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.358 -1.464 . . . . 0.0 108.434 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -64.98 -40.75 95.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.397 -0.814 . . . . 0.0 113.16 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -69.66 -39.32 77.13 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.375 -1.453 . . . . 0.0 110.776 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.97 -39.2 76.11 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.282 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -64.54 -49.47 71.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 109.53 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.1 -47.32 86.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.415 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -63.57 -37.12 86.12 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.053 -1.029 . . . . 0.0 109.314 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -68.03 -42.63 80.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.55 -46.3 66.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.902 -1.124 . . . . 0.0 110.578 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -62.0 -48.93 78.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.038 -1.039 . . . . 0.0 110.562 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -69.82 -24.91 63.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 109.697 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.4 m -80.25 -34.27 37.26 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.199 -0.938 . . . . 0.0 110.947 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.95 -27.93 1.6 Allowed 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.58 -1.325 . . . . 0.0 111.783 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.9 13.91 26.25 Favored Glycine 0 N--CA 1.498 2.771 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.76 154.33 2.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.019 -1.283 . . . . 0.0 109.107 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -92.6 173.55 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.045 -1.034 . . . . 0.0 110.379 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.99 74.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.631 -0.668 . . . . 0.0 110.536 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.8 -40.93 72.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.712 -1.243 . . . . 0.0 110.049 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.5 -38.46 84.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.419 -0.801 . . . . 0.0 110.892 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -67.73 -38.06 83.05 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.13 -0.981 . . . . 0.0 110.447 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.13 -37.35 79.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.776 -1.202 . . . . 0.0 109.53 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.01 -40.01 83.06 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.776 -1.203 . . . . 0.0 110.731 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 66.7 m -68.67 -40.13 80.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.814 -1.179 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -59.44 -60.4 3.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.656 -1.277 . . . . 0.0 110.362 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.64 -31.58 75.55 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -68.52 -49.76 57.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.017 -1.284 . . . . 0.0 109.753 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -71.34 -40.07 70.93 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.945 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' B' ' 82' ' ' ARG . 35.9 ttt-85 -63.04 -40.55 98.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.989 -1.069 . . . . 0.0 110.418 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.463 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 93.4 mt-10 -69.95 -38.53 76.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.103 -0.998 . . . . 0.0 110.636 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 89.8 t90 -62.48 -45.56 92.49 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.681 -1.262 . . . . 0.0 109.259 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.15 -40.09 88.65 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.258 -0.901 . . . . 0.0 109.594 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -58.29 -28.92 65.44 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.313 -0.867 . . . . 0.0 109.771 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.16 -34.45 12.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.203 -0.936 . . . . 0.0 111.015 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -111.63 -10.08 14.12 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -176.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 N--CA 1.503 2.215 0 O-C-N 120.157 -1.589 . . . . 0.0 109.464 -179.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.293 0.568 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.8 m -90.46 133.02 35.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.286 -0.884 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.2 p -74.68 157.33 35.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.8 p -79.45 169.3 18.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.204 -0.935 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.96 -23.94 66.69 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.745 -0.597 . . . . 0.0 110.687 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.8 -38.42 88.02 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.806 -1.184 . . . . 0.0 108.909 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -59.99 -52.4 65.53 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.166 -0.959 . . . . 0.0 110.284 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 98.2 mtt180 -69.95 -33.31 71.95 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.964 -1.085 . . . . 0.0 110.311 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -64.59 -39.98 94.69 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.949 -1.094 . . . . 0.0 108.539 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.12 -46.8 85.61 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.776 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' CA ' ' A' ' 84' ' ' TRP . 34.1 m -93.06 7.79 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 120.928 -1.108 . . . . 0.0 111.4 -179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -98.09 -20.73 17.17 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.945 -1.097 . . . . 0.0 108.808 177.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -149.47 151.17 32.88 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.26 160.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.786 1.658 . . . . 0.0 111.85 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.492 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.1 ptp -89.31 -27.37 20.58 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.139 -0.976 . . . . 0.0 109.457 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.91 -139.95 35.65 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -105.08 31.4 4.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.486 -1.008 . . . . 0.0 110.058 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -60.01 148.09 78.27 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.069 -1.019 . . . . 0.0 108.404 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.77 155.68 65.98 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.453 2.102 . . . . 0.0 112.808 -178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG23 HG21 ' A' ' 45' ' ' VAL . 7.6 p -53.08 -39.0 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.598 -0.689 . . . . 0.0 110.4 -179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -64.35 -3.4 9.26 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -80.8 -17.46 50.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.041 -1.27 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.647 HD22 HD21 ' A' ' 81' ' ' LEU . 90.8 mt -64.28 133.16 52.18 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.36 -0.838 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.5 137.43 58.24 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.622 -0.831 . . . . 0.0 108.907 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.3 -20.15 51.06 Favored Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.7 mm -100.01 120.0 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 O-C-N 121.183 -1.187 . . . . 0.0 108.619 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.9 177.0 39.79 Favored Glycine 0 N--CA 1.496 2.635 0 O-C-N 120.713 -1.242 . . . . 0.0 110.223 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.76 -40.02 82.68 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.606 -0.938 . . . . 0.0 111.097 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.66 -43.76 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.722 -1.236 . . . . 0.0 109.471 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.62 -37.64 82.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.306 -0.872 . . . . 0.0 109.38 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.91 96.19 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -63.66 -38.15 90.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.245 -1.15 . . . . 0.0 110.348 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.87 -44.16 81.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.757 -1.214 . . . . 0.0 109.92 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.21 -39.47 94.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.95 -1.094 . . . . 0.0 109.156 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -42.2 93.88 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.769 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.72 -19.37 65.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 108.839 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.479 HH11 ' HG2' ' A' ' 37' ' ' ARG . 34.5 mtt-85 -89.98 1.86 55.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.398 -0.814 . . . . 0.0 110.458 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.59 4.6 49.22 Favored Glycine 0 N--CA 1.502 3.081 0 O-C-N 121.128 -0.983 . . . . 0.0 111.833 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.01 74.3 1.3 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.822 -1.399 . . . . 0.0 108.572 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 p-10 -82.36 -12.66 57.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.391 -0.818 . . . . 0.0 110.294 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.58 149.86 50.45 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.228 -0.92 . . . . 0.0 109.555 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.04 94.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.54 -0.725 . . . . 0.0 111.22 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -58.86 -18.97 37.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.215 . . . . 0.0 111.327 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.79 -32.61 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.422 -1.424 . . . . 0.0 107.321 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 20' ' ' VAL . 89.2 t -77.91 -34.88 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.492 HD22 ' CE ' ' A' ' 15' ' ' MET . 21.4 tp -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.05 -41.62 98.08 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.23 -40.16 89.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.921 -1.341 . . . . 0.0 109.097 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -60.03 -39.98 87.76 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -38.98 81.65 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.29 -30.49 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.326 -0.859 . . . . 0.0 110.73 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.75 13.8 9.86 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.969 -1.082 . . . . 0.0 110.299 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 49.91 35.83 10.3 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.892 -1.13 . . . . 0.0 109.745 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 mttp 60.11 20.91 10.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.563 -0.711 . . . . 0.0 110.514 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -67.57 111.81 4.37 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.54 -1.35 . . . . 0.0 108.007 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.01 -40.02 94.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.343 -0.848 . . . . 0.0 112.704 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 98.4 m-20 -67.97 -39.98 83.24 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.531 -1.356 . . . . 0.0 109.905 -178.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.02 -39.03 76.04 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.415 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -64.86 -46.35 82.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.212 -0.93 . . . . 0.0 110.315 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.6 mtm180 -60.04 -46.44 89.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.036 -1.04 . . . . 0.0 111.313 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -64.47 -36.05 82.93 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.694 -1.254 . . . . 0.0 109.051 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -62.44 -49.53 75.09 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.359 -0.838 . . . . 0.0 111.4 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -67.98 -49.24 62.82 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.005 -1.06 . . . . 0.0 110.59 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -63.12 -47.21 83.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.206 -0.933 . . . . 0.0 109.936 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 30.0 t0 -67.91 -27.6 66.79 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.535 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.5 m -78.98 -37.06 40.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.314 -0.866 . . . . 0.0 111.472 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.32 -23.59 2.65 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.629 -1.294 . . . . 0.0 112.275 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.65 13.33 30.31 Favored Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.145 -1.582 . . . . 0.0 109.145 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 155.43 2.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.188 -1.183 . . . . 0.0 109.448 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -88.01 169.65 11.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.987 -1.071 . . . . 0.0 109.467 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.38 -28.29 69.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.434 -0.791 . . . . 0.0 110.683 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.14 -42.41 72.59 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.807 -1.183 . . . . 0.0 110.402 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.97 -36.76 82.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.895 . . . . 0.0 110.748 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.26 -39.12 89.23 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.898 -1.126 . . . . 0.0 110.303 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -59.92 -38.86 83.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.811 -1.181 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.82 -38.21 79.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.866 -1.147 . . . . 0.0 110.568 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.8 m -68.36 -39.91 81.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.823 -1.173 . . . . 0.0 109.496 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -59.94 -60.41 3.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.026 -1.046 . . . . 0.0 109.975 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.37 -33.23 83.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.0 t -68.77 -49.15 61.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.997 -1.296 . . . . 0.0 109.727 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 23' ' ' LEU . 95.7 mt -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.385 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -62.39 -40.86 97.86 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 110.275 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -68.09 -36.69 80.2 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.031 -1.043 . . . . 0.0 109.825 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.501 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 68.0 t90 -59.82 -43.37 94.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.66 -1.275 . . . . 0.0 107.659 178.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 45.8 m -61.59 -40.63 95.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.418 -0.801 . . . . 0.0 108.84 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -60.36 -39.56 87.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.539 -0.726 . . . . 0.0 110.115 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.49 -38.82 16.89 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.142 -0.974 . . . . 0.0 110.674 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.3 m-85 -104.53 -85.5 0.47 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.201 -0.937 . . . . 0.0 110.517 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.495 1.812 0 O-C-N 120.936 -1.102 . . . . 0.0 109.323 -179.656 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 21.8 m -89.92 132.9 35.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.254 -0.904 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 79.8 p -74.55 157.32 35.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 92.2 p -79.32 169.34 18.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.88 -24.18 66.76 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.69 -0.631 . . . . 0.0 110.675 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.58 -38.44 87.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.854 -1.154 . . . . 0.0 109.027 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -59.98 -52.44 65.38 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.031 -1.043 . . . . 0.0 110.313 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 12' ' ' ALA . 98.1 mtt180 -70.0 -33.21 71.73 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.978 -1.076 . . . . 0.0 110.241 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.75 -40.13 94.78 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.972 -1.08 . . . . 0.0 108.392 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -62.62 -46.93 85.98 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.901 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.443 HG12 ' CA ' ' B' ' 84' ' ' TRP . 34.0 m -93.38 8.34 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 120.824 -1.172 . . . . 0.0 111.501 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' B' ' 8' ' ' ARG . . . -98.39 -20.99 16.83 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.018 -1.051 . . . . 0.0 108.665 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -149.33 151.16 33.22 Favored Pre-proline 0 N--CA 1.493 1.709 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_exo -40.29 160.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.79 1.66 . . . . 0.0 111.807 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.485 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.0 ptp -89.56 -26.92 20.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.131 -0.98 . . . . 0.0 109.509 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.43 -140.23 33.3 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -104.73 31.41 4.76 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.503 -0.998 . . . . 0.0 110.196 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -59.98 148.24 77.67 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 120.994 -1.067 . . . . 0.0 108.399 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.73 155.65 66.01 Favored 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.426 2.084 . . . . 0.0 112.884 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.449 HG23 HG21 ' B' ' 45' ' ' VAL . 7.6 p -53.08 -39.09 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.68 -0.638 . . . . 0.0 110.307 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.433 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -64.3 -3.04 8.03 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -81.16 -17.62 49.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.943 -1.328 . . . . 0.0 108.895 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.655 HD22 HD21 ' B' ' 81' ' ' LEU . 90.5 mt -64.24 133.05 52.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.381 -0.825 . . . . 0.0 109.57 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.58 136.93 58.19 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.628 -0.829 . . . . 0.0 109.043 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.73 -19.89 51.59 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mm -100.14 119.98 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.223 -1.163 . . . . 0.0 108.501 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.82 176.94 39.86 Favored Glycine 0 N--CA 1.494 2.533 0 O-C-N 120.754 -1.216 . . . . 0.0 110.235 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.73 -39.96 82.39 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.919 . . . . 0.0 111.105 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.6 -44.02 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.712 -1.242 . . . . 0.0 109.398 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.43 -37.51 83.13 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.39 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.03 96.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -63.53 -38.6 91.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.205 -1.174 . . . . 0.0 110.243 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -66.44 -44.32 83.16 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.794 -1.191 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.11 -39.44 94.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.969 -1.082 . . . . 0.0 109.258 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.848 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.73 -19.48 65.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.944 . . . . 0.0 108.805 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.482 HH11 ' HG2' ' B' ' 37' ' ' ARG . 34.4 mtt-85 -90.02 2.52 55.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.442 -0.786 . . . . 0.0 110.413 -178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.07 4.61 50.85 Favored Glycine 0 N--CA 1.502 3.088 0 C-N-CA 120.224 -0.989 . . . . 0.0 111.868 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -103.22 74.66 1.3 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.903 -1.351 . . . . 0.0 108.546 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.0 p-10 -82.88 -12.36 57.46 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.304 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -128.7 150.08 50.41 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.228 -0.92 . . . . 0.0 109.558 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.65 92.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.556 -0.715 . . . . 0.0 111.211 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -59.15 -19.33 43.94 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.77 -1.206 . . . . 0.0 111.297 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -78.67 -32.05 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.517 -1.364 . . . . 0.0 107.408 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.449 HG21 HG23 ' B' ' 20' ' ' VAL . 88.3 t -78.28 -34.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.485 HD22 ' CE ' ' B' ' 15' ' ' MET . 21.9 tp -59.98 -37.87 80.91 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.98 -41.77 98.03 Favored Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -60.06 -40.18 88.58 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.951 -1.323 . . . . 0.0 109.039 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.96 -39.95 87.36 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.44 -39.46 81.51 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.81 -30.3 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.417 -0.802 . . . . 0.0 110.816 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 86.7 mt -88.1 14.33 9.38 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.106 -0.996 . . . . 0.0 110.31 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 49.6 35.87 9.42 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.839 -1.163 . . . . 0.0 109.638 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 57.2 mttp 60.03 20.29 9.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 110.589 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.97 111.89 4.04 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.536 -1.352 . . . . 0.0 107.934 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.15 -40.17 94.0 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.307 -0.87 . . . . 0.0 112.652 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 98.3 m-20 -67.76 -39.86 84.13 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.404 -1.435 . . . . 0.0 109.969 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.96 -38.98 76.27 Favored 'General case' 0 C--N 1.29 -1.994 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.434 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -65.1 -46.21 81.98 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.206 -0.934 . . . . 0.0 110.265 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.484 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.7 mtm180 -59.98 -47.12 87.12 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.124 -0.985 . . . . 0.0 111.185 -178.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.06 -35.75 81.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.653 -1.279 . . . . 0.0 109.231 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -62.72 -49.25 75.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 111.464 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.4 tp -68.18 -49.54 60.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.119 -0.988 . . . . 0.0 110.5 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.78 -47.32 84.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.112 -0.993 . . . . 0.0 109.959 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.88 -27.6 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -79.03 -37.04 40.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 111.452 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.8 p -130.16 -24.07 2.64 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 120.64 -1.288 . . . . 0.0 112.288 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.91 13.89 28.23 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.62 155.47 3.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -1.187 . . . . 0.0 109.447 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -87.99 169.63 11.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.986 -1.071 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.0 69.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.433 -0.792 . . . . 0.0 110.645 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.34 -42.49 71.83 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.848 -1.158 . . . . 0.0 110.427 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.02 -36.58 82.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 0.0 110.797 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -66.52 -38.91 88.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.036 -1.04 . . . . 0.0 110.283 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.0 -38.57 83.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.738 -1.226 . . . . 0.0 109.563 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -69.13 -38.57 78.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.72 -1.238 . . . . 0.0 110.515 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.0 m -67.98 -40.05 83.21 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.846 -1.159 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.88 -60.27 4.11 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.968 -1.082 . . . . 0.0 110.09 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.06 83.48 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.82 -49.19 60.56 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.984 -1.303 . . . . 0.0 109.749 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.655 HD21 HD22 ' B' ' 23' ' ' LEU . 95.8 mt -70.03 -39.95 75.46 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.26 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -62.6 -40.44 96.95 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.152 -0.967 . . . . 0.0 110.256 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.044 -1.035 . . . . 0.0 109.809 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.51 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 68.0 t90 -59.95 -43.23 95.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.687 -1.258 . . . . 0.0 107.716 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 m -61.73 -40.59 95.62 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -60.67 -39.03 86.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.57 -0.706 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.81 -39.03 16.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.167 -0.958 . . . . 0.0 110.595 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.51 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.2 m-85 -104.31 -85.84 0.46 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.354 -0.841 . . . . 0.0 110.423 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 20.5 tp . . . . . 0 N--CA 1.496 1.841 0 O-C-N 120.789 -1.194 . . . . 0.0 109.331 -179.538 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.8 p -75.18 160.03 30.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.275 -0.891 . . . . 0.0 109.442 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -72.54 159.74 33.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.224 -0.922 . . . . 0.0 109.445 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -70.86 159.29 34.89 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.665 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.06 -25.35 65.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.733 -0.605 . . . . 0.0 110.812 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -60.04 -38.91 84.14 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.811 -1.181 . . . . 0.0 109.903 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.492 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.7 t60 -59.61 -51.83 68.15 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -178.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -70.02 -33.95 72.66 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.916 -1.115 . . . . 0.0 109.982 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -71.1 -38.49 72.36 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.552 -0.718 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -67.93 -41.33 82.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.177 -0.952 . . . . 0.0 110.236 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.8 m -84.47 13.4 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.091 -1.005 . . . . 0.0 109.558 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.48 -9.3 13.82 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.497 -0.752 . . . . 0.0 110.882 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -154.52 153.85 28.52 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 120.862 -1.149 . . . . 0.0 109.276 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -43.74 160.35 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 121.829 1.686 . . . . 0.0 111.478 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.613 ' HE3' HD22 ' A' ' 46' ' ' LEU . 7.8 ptp -88.54 -20.96 24.39 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.081 -1.012 . . . . 0.0 109.674 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.8 -140.02 16.73 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -102.4 27.58 6.67 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.403 -1.057 . . . . 0.0 110.719 -178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -60.43 149.88 75.54 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.887 -1.133 . . . . 0.0 108.697 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 159.99 51.31 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.338 2.025 . . . . 0.0 112.493 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 21' ' ' GLY . 3.1 p -55.01 -47.57 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.656 -0.653 . . . . 0.0 110.556 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.0 -4.12 0.15 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 20' ' ' VAL . 14.8 t -82.91 -21.43 34.2 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.738 -1.448 . . . . 0.0 109.607 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.44 136.37 57.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.459 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 138.84 58.67 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 121.674 0.75 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.07 -16.51 60.78 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 mm -100.91 116.66 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.352 -1.087 . . . . 0.0 108.315 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.428 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.71 178.24 37.82 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -59.45 -40.12 85.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.367 -1.079 . . . . 0.0 110.215 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.09 -45.72 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 120.882 -1.136 . . . . 0.0 108.992 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.4 mt -65.25 -37.05 86.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.503 -0.748 . . . . 0.0 109.279 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.36 -39.96 95.42 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.01 -40.03 95.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -1.175 . . . . 0.0 110.419 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.94 -48.82 67.43 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.761 -1.212 . . . . 0.0 109.664 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.37 -40.01 92.72 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.994 -1.066 . . . . 0.0 109.221 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.01 -41.26 91.78 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 119.6 -0.84 . . . . 0.0 109.623 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.53 -19.4 64.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.3 -0.875 . . . . 0.0 109.112 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -90.02 -0.01 57.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.53 -0.731 . . . . 0.0 110.33 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.66 3.61 43.19 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.023 -1.048 . . . . 0.0 111.887 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.75 75.06 1.27 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.827 -1.396 . . . . 0.0 108.148 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -82.22 -10.42 59.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.801 . . . . 0.0 111.131 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.7 159.27 42.53 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.937 -1.102 . . . . 0.0 110.47 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.33 88.96 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.36 -20.08 58.07 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.385 -1.447 . . . . 0.0 111.652 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.47 -33.46 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.407 -1.433 . . . . 0.0 107.503 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -75.11 -38.39 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD22 ' HE3' ' A' ' 15' ' ' MET . 59.4 tp -60.0 -39.88 87.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.33 -47.3 56.47 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -60.76 -42.96 98.48 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.068 -1.254 . . . . 0.0 109.596 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.01 -41.29 91.83 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.208 -0.932 . . . . 0.0 108.792 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.49 -37.88 83.52 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.12 -25.58 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.278 -0.889 . . . . 0.0 110.655 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 14.11 10.5 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.949 -1.094 . . . . 0.0 110.242 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 49.0 36.68 8.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.894 -1.129 . . . . 0.0 110.396 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 60.04 20.4 9.55 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.437 -0.789 . . . . 0.0 110.841 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.54 114.56 5.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.22 -1.55 . . . . 0.0 108.207 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.48 -42.37 92.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.368 -0.832 . . . . 0.0 112.77 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.524 ' OD1' ' NH2' ' A' ' 60' ' ' ARG . 96.7 m-20 -68.74 -39.78 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.561 -1.337 . . . . 0.0 110.061 -178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.03 -38.79 75.98 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 119.13 -1.028 . . . . 0.0 109.015 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.08 -48.01 77.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.0 109.845 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' NH2' ' OD1' ' A' ' 57' ' ' ASP . 77.8 mtm180 -60.06 -46.94 87.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.267 -0.896 . . . . 0.0 111.334 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.09 -35.68 81.54 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.66 -1.275 . . . . 0.0 109.238 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -61.64 -49.22 77.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.184 -0.947 . . . . 0.0 111.512 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.09 -45.1 74.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.813 -1.179 . . . . 0.0 110.37 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.66 -49.18 76.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.012 -1.055 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 29.8 t0 -67.15 -29.63 69.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.524 -0.735 . . . . 0.0 109.42 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.8 m -76.63 -35.57 57.95 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.512 -0.742 . . . . 0.0 111.004 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.19 -31.4 1.12 Allowed 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.676 -1.265 . . . . 0.0 112.243 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.74 17.65 8.97 Favored Glycine 0 N--CA 1.503 3.132 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.42 153.53 2.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.093 -1.24 . . . . 0.0 109.453 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.29 170.64 10.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.062 -1.024 . . . . 0.0 109.843 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.91 -32.44 70.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.532 -0.73 . . . . 0.0 110.998 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.49 -41.41 66.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.877 -1.139 . . . . 0.0 110.695 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.1 -38.12 85.11 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.23 -0.919 . . . . 0.0 110.746 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.8 m -66.19 -36.79 84.01 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.187 -0.946 . . . . 0.0 109.737 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 75' ' ' ARG . 19.6 mmm-85 -60.07 -38.96 84.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.977 -1.077 . . . . 0.0 109.491 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -68.43 -39.93 81.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.794 -1.191 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -68.94 -39.94 79.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.689 -1.257 . . . . 0.0 109.85 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -60.02 -60.41 3.86 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.727 -1.233 . . . . 0.0 110.136 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.52 -32.63 81.91 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.3 t -68.65 -44.97 72.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.282 . . . . 0.0 109.821 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.92 -39.03 76.38 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.936 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.37 -40.58 91.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 0.0 110.016 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 98.2 mt-10 -69.96 -39.16 76.17 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.207 -0.933 . . . . 0.0 110.92 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 74.6 t90 -61.82 -46.92 87.41 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 120.393 -1.442 . . . . 0.0 108.402 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 89' ' ' LEU . 34.7 m -60.1 -40.04 88.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.381 -0.824 . . . . 0.0 109.839 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.48 -31.9 69.77 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.134 -0.979 . . . . 0.0 110.05 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.65 -31.71 15.03 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.163 -0.961 . . . . 0.0 110.718 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.609 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 89.1 m-85 -110.92 2.03 17.9 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.258 -0.901 . . . . 0.0 111.913 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 109.399 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -75.15 160.0 30.95 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.106 -0.996 . . . . 0.0 109.418 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -72.5 159.63 33.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.16 -0.962 . . . . 0.0 109.452 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -70.79 159.29 34.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.342 -0.849 . . . . 0.0 109.694 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.04 -25.22 65.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.749 -0.594 . . . . 0.0 110.873 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -60.08 -38.94 84.39 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.749 -1.219 . . . . 0.0 109.841 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.49 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.6 t60 -59.65 -51.87 67.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.071 -1.018 . . . . 0.0 110.819 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -70.15 -33.7 72.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.87 -1.144 . . . . 0.0 109.873 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.29 -38.15 71.8 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.517 -0.74 . . . . 0.0 110.115 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -68.27 -41.14 81.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.149 -0.969 . . . . 0.0 110.278 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.64 13.2 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.021 -1.049 . . . . 0.0 109.521 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.28 -9.17 13.91 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.763 . . . . 0.0 110.781 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -154.59 153.92 28.54 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.735 -1.228 . . . . 0.0 109.369 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -43.75 160.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.773 1.649 . . . . 0.0 111.472 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.596 ' CE ' HD22 ' B' ' 46' ' ' LEU . 7.9 ptp -88.45 -21.0 24.45 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.982 -1.074 . . . . 0.0 109.709 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.99 -140.04 17.75 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -102.44 27.93 6.4 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.491 -1.006 . . . . 0.0 110.592 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -60.74 149.9 77.99 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.849 -1.157 . . . . 0.0 108.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.72 159.94 51.58 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.328 2.018 . . . . 0.0 112.521 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' B' ' 22' ' ' SER . 3.1 p -55.02 -47.51 76.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.684 -0.635 . . . . 0.0 110.556 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.472 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.1 -4.22 0.17 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 20' ' ' VAL . 15.1 t -82.69 -21.43 34.89 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.716 -1.461 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.48 136.54 57.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -0.997 . . . . 0.0 109.49 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.32 138.62 58.59 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.608 0.718 . . . . 0.0 109.698 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 -16.66 60.39 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -100.9 116.58 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.328 -1.101 . . . . 0.0 108.32 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.415 ' H ' HD12 ' B' ' 30' ' ' LEU . . . -93.72 178.33 37.86 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.51 -40.04 85.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -1.086 . . . . 0.0 110.362 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.17 -45.68 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.805 -1.184 . . . . 0.0 108.995 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.415 HD12 ' H ' ' B' ' 27' ' ' GLY . 90.8 mt -65.27 -37.0 85.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.456 -0.777 . . . . 0.0 109.301 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.45 -40.04 95.65 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.92 -39.89 95.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -1.105 . . . . 0.0 110.483 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.97 -48.58 68.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.621 -1.299 . . . . 0.0 109.809 -179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.58 -39.88 92.77 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.856 -1.152 . . . . 0.0 109.194 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -41.23 91.93 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.588 -0.845 . . . . 0.0 109.611 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -68.6 -19.28 64.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.295 -0.878 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -89.98 -0.1 57.39 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.756 . . . . 0.0 110.329 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.51 3.55 43.69 Favored Glycine 0 N--CA 1.504 3.223 0 O-C-N 121.08 -1.012 . . . . 0.0 111.89 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -103.57 74.9 1.28 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.794 -1.415 . . . . 0.0 108.225 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -81.87 -10.78 59.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.469 -0.77 . . . . 0.0 111.132 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -138.42 159.12 42.87 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.892 -1.13 . . . . 0.0 110.545 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.62 88.01 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -60.01 -20.15 56.29 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.418 -1.426 . . . . 0.0 111.63 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 49.2 t -78.42 -33.67 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 120.343 -1.473 . . . . 0.0 107.551 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -74.95 -38.27 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.596 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.8 tp -60.03 -39.96 87.68 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.56 -46.81 58.48 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.98 -42.97 99.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.54 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -60.1 -41.3 92.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.918 . . . . 0.0 108.781 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.44 -37.96 83.81 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.06 -25.73 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.327 -0.858 . . . . 0.0 110.674 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.32 14.01 10.42 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.866 -1.146 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 48.99 36.8 9.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.854 -1.154 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 59.88 20.55 9.49 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.444 -0.785 . . . . 0.0 110.866 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -66.66 114.27 5.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.284 -1.51 . . . . 0.0 108.262 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.25 -42.14 93.61 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.389 -0.819 . . . . 0.0 112.827 -178.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.532 ' OD1' ' NH2' ' B' ' 60' ' ' ARG . 96.4 m-20 -68.96 -39.95 79.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.592 -1.318 . . . . 0.0 110.064 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.8 -38.91 76.79 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.193 -1.003 . . . . 0.0 109.085 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.91 -48.03 78.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.247 -0.908 . . . . 0.0 109.815 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OD1' ' B' ' 57' ' ' ASP . 77.6 mtm180 -60.06 -46.7 88.68 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.255 -0.903 . . . . 0.0 111.467 -178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.2 -36.0 82.65 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.749 -1.22 . . . . 0.0 109.285 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -61.39 -49.27 77.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.133 -0.98 . . . . 0.0 111.58 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.02 -44.98 75.27 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.906 -1.122 . . . . 0.0 110.427 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.78 -49.13 76.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.325 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 33.9 t0 -67.15 -29.81 69.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.454 -0.779 . . . . 0.0 109.409 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.5 m -76.44 -35.92 58.25 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.409 -0.807 . . . . 0.0 111.005 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -134.02 -31.42 1.14 Allowed 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.652 -1.28 . . . . 0.0 112.302 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.88 17.33 9.11 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.17 153.59 2.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -89.44 170.71 10.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.111 -0.993 . . . . 0.0 109.855 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.04 -32.52 70.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.499 -0.75 . . . . 0.0 110.868 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -72.53 -41.27 66.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.937 -1.102 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -67.0 -38.3 85.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.862 . . . . 0.0 110.742 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -66.0 -36.8 84.27 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.186 -0.946 . . . . 0.0 109.784 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.411 HH11 ' HG3' ' B' ' 75' ' ' ARG . 19.5 mmm-85 -60.04 -38.94 84.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.947 -1.096 . . . . 0.0 109.57 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.33 -39.91 81.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.782 -1.199 . . . . 0.0 110.822 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.6 m -68.98 -40.06 79.04 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.704 -1.247 . . . . 0.0 109.77 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.98 -60.45 3.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.657 -1.277 . . . . 0.0 110.092 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.39 -32.74 82.07 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 52.2 t -68.54 -45.08 73.12 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.066 -1.255 . . . . 0.0 109.79 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.03 -39.05 75.98 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.977 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -60.18 -40.69 90.87 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.179 -0.951 . . . . 0.0 110.018 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.49 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 98.3 mt-10 -69.99 -39.14 76.08 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.156 -0.965 . . . . 0.0 110.823 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.615 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 74.1 t90 -61.58 -47.16 86.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.415 -1.428 . . . . 0.0 108.399 178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' B' ' 89' ' ' LEU . 35.5 m -60.14 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.465 -0.772 . . . . 0.0 109.951 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -59.44 -32.0 69.81 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.165 -0.959 . . . . 0.0 110.058 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.55 -31.64 15.13 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.149 -0.969 . . . . 0.0 110.803 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.615 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 89.0 m-85 -111.13 2.32 17.79 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.266 -0.896 . . . . 0.0 111.779 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.2 tp . . . . . 0 N--CA 1.501 2.075 0 O-C-N 120.731 -1.23 . . . . 0.0 109.375 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 m -64.41 138.42 58.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.507 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.2 p -77.78 169.22 18.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.272 -0.893 . . . . 0.0 109.858 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.5 p -70.08 163.34 26.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.383 -0.823 . . . . 0.0 109.678 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.87 -20.3 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.738 -0.601 . . . . 0.0 110.053 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -64.45 -37.21 86.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.121 -0.987 . . . . 0.0 109.173 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -60.02 -51.31 70.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.222 -0.924 . . . . 0.0 110.75 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -69.94 -32.0 70.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.165 -0.96 . . . . 0.0 109.818 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -72.56 -39.68 67.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.458 -0.776 . . . . 0.0 110.446 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.74 -40.0 84.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.183 -0.948 . . . . 0.0 110.285 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 m -82.98 17.65 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.006 -1.058 . . . . 0.0 110.02 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.41 -5.35 9.85 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.411 -0.806 . . . . 0.0 110.593 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.76 150.04 22.23 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.733 -1.229 . . . . 0.0 109.789 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -41.94 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.195 1.93 . . . . 0.0 111.867 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.661 ' CE ' HD22 ' A' ' 46' ' ' LEU . 8.8 ptp -92.47 -21.15 20.33 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.072 -1.018 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.97 -139.96 32.06 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -104.8 32.26 4.26 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.478 -1.013 . . . . 0.0 109.906 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -60.07 149.65 73.62 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.979 -1.076 . . . . 0.0 109.296 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.31 156.95 64.04 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.504 2.136 . . . . 0.0 112.588 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 21' ' ' GLY . 6.2 p -55.09 -41.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.539 -0.726 . . . . 0.0 110.379 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -63.43 -4.38 9.0 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 t -81.55 -21.4 38.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.706 -1.467 . . . . 0.0 109.195 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.33 141.04 58.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.699 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 135.17 56.59 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.712 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.42 -22.84 34.86 Favored Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 mm -98.76 120.02 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.013 -1.286 . . . . 0.0 108.695 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' H ' HD12 ' A' ' 30' ' ' LEU . . . -93.42 178.2 38.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.5 -40.04 81.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.271 -1.135 . . . . 0.0 109.982 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.63 -45.78 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.061 -1.024 . . . . 0.0 109.419 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 27' ' ' GLY . 92.6 mt -65.87 -36.84 84.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.327 -0.858 . . . . 0.0 109.521 -179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.44 95.66 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.73 -39.91 95.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.332 -1.099 . . . . 0.0 110.725 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -66.99 -48.92 66.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.637 -1.289 . . . . 0.0 110.181 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.42 -39.7 88.36 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.058 -1.026 . . . . 0.0 108.908 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.96 -45.77 91.58 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.814 -0.755 . . . . 0.0 109.955 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -64.76 -19.08 65.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.12 -0.988 . . . . 0.0 108.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 37' ' ' ARG . 30.2 mtt-85 -89.66 0.94 56.63 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.262 -0.899 . . . . 0.0 110.586 -178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.71 3.31 43.13 Favored Glycine 0 N--CA 1.502 3.036 0 O-C-N 121.086 -1.009 . . . . 0.0 111.837 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.42 74.58 1.18 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.79 -1.418 . . . . 0.0 108.149 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -82.2 -9.98 59.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.79 . . . . 0.0 110.553 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.92 156.84 48.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.197 -0.939 . . . . 0.0 110.104 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -60.87 -19.33 60.01 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.376 -1.453 . . . . 0.0 111.642 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 50.3 t -78.08 -32.69 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.357 -1.465 . . . . 0.0 107.379 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.2 t -75.9 -38.16 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 ' CE ' ' A' ' 15' ' ' MET . 46.9 tp -60.05 -39.05 84.61 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.89 -40.4 96.78 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.27 -41.12 92.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.017 -1.284 . . . . 0.0 108.711 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -59.99 -40.04 87.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.29 -38.74 81.98 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.92 -30.65 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.391 -0.818 . . . . 0.0 110.144 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.46 15.51 7.79 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.23 33.14 6.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.901 -1.125 . . . . 0.0 110.147 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 60.68 20.1 10.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.659 -0.651 . . . . 0.0 110.853 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -66.28 115.77 6.6 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.562 -1.337 . . . . 0.0 107.998 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 60' ' ' ARG . 87.1 tt0 -66.79 -40.94 88.3 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.134 -0.979 . . . . 0.0 112.985 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.93 -40.03 79.25 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.69 -1.256 . . . . 0.0 109.628 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -69.95 -38.39 76.11 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 119.398 -0.921 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.41 -47.18 83.04 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.481 -0.762 . . . . 0.0 109.819 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 56' ' ' GLU . 99.0 mtt180 -59.96 -46.16 90.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.367 -0.833 . . . . 0.0 111.307 -178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.36 -36.47 83.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.594 -1.316 . . . . 0.0 108.931 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.439 ' O ' ' OG1' ' A' ' 66' ' ' THR . 63.6 t90 -63.66 -46.64 84.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.277 -0.889 . . . . 0.0 110.699 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -67.65 -47.64 68.97 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -59.98 -48.49 81.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.197 -0.94 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 26.6 t0 -68.39 -31.8 71.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 0.0 109.717 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 52.2 m -75.49 -38.97 59.16 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.216 -0.927 . . . . 0.0 111.824 -177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -133.47 -30.86 1.26 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 120.273 -1.517 . . . . 0.0 112.405 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.23 15.44 12.63 Favored Glycine 0 N--CA 1.5 2.957 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.44 153.26 1.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.885 -1.362 . . . . 0.0 109.084 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.92 172.28 8.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.87 -1.144 . . . . 0.0 109.729 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.67 73.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.5 -39.96 70.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.921 -1.112 . . . . 0.0 109.625 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.75 -39.47 87.93 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.473 -0.767 . . . . 0.0 110.8 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 p -66.78 -38.57 86.8 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.063 -1.023 . . . . 0.0 109.969 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.01 -37.93 81.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.875 -1.141 . . . . 0.0 109.691 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -67.84 -38.82 83.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.642 -1.286 . . . . 0.0 110.608 -179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.822 -1.174 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -60.01 -59.68 5.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.627 -1.295 . . . . 0.0 110.128 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' O ' ' OE2' ' A' ' 83' ' ' GLU . . . -59.99 -32.33 75.15 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.94 -50.87 45.51 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.201 -1.176 . . . . 0.0 109.694 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.89 -40.02 72.47 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.587 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -60.93 -40.83 94.72 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.042 -1.037 . . . . 0.0 110.386 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -69.99 -38.62 76.05 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.102 -0.999 . . . . 0.0 110.738 -179.424 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 80.5 t90 -60.18 -46.29 90.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.358 -1.464 . . . . 0.0 108.405 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.3 m -60.04 -40.03 87.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.0 109.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.96 -35.2 74.46 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.401 -0.812 . . . . 0.0 110.394 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.09 -34.95 18.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.968 -1.082 . . . . 0.0 110.316 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 95.7 m-85 -105.11 -85.93 0.47 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.28 -0.887 . . . . 0.0 110.194 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 tp . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.987 -1.071 . . . . 0.0 109.144 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 32.7 m -64.52 138.19 58.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 0.0 109.523 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -77.59 169.07 18.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -0.877 . . . . 0.0 109.859 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 86.1 p -70.03 163.42 26.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.352 -0.842 . . . . 0.0 109.667 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.88 -20.27 66.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.72 -0.612 . . . . 0.0 110.04 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -64.37 -37.22 86.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.035 -1.041 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.93 -51.29 70.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.935 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -70.05 -31.9 69.75 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.17 -0.956 . . . . 0.0 109.854 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -72.63 -39.64 67.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.452 -0.78 . . . . 0.0 110.403 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -67.84 -39.95 83.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.142 -0.974 . . . . 0.0 110.306 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 24.3 m -83.06 17.86 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.028 -1.045 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.45 -5.44 9.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.376 -0.828 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.69 150.05 22.36 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.786 -1.196 . . . . 0.0 109.744 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -42.01 160.88 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.243 1.962 . . . . 0.0 111.817 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.653 ' CE ' HD22 ' B' ' 46' ' ' LEU . 8.9 ptp -92.62 -20.8 20.51 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.045 -1.034 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.53 -139.94 30.2 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -104.75 32.5 4.09 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.437 -1.037 . . . . 0.0 109.888 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.43 149.84 75.7 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.972 -1.08 . . . . 0.0 109.291 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.41 156.85 64.43 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 122.574 2.183 . . . . 0.0 112.593 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 21' ' ' GLY . 6.3 p -55.02 -41.7 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.473 -0.767 . . . . 0.0 110.37 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.466 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -63.3 -4.37 8.52 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -81.67 -21.17 38.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.735 -1.45 . . . . 0.0 109.276 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.49 141.04 58.03 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.245 -0.909 . . . . 0.0 109.684 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.65 135.16 56.54 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.663 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.39 -22.72 35.28 Favored Glycine 0 N--CA 1.499 2.897 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.7 mm -98.77 120.07 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 120.998 -1.295 . . . . 0.0 108.583 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.47 178.22 38.16 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.65 -39.9 81.91 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.337 -1.096 . . . . 0.0 110.024 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.63 -45.84 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.079 -1.013 . . . . 0.0 109.431 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.77 -36.89 84.83 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 109.529 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.98 -39.41 95.59 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.68 -40.09 95.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -1.107 . . . . 0.0 110.687 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -66.83 -48.97 67.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.624 -1.297 . . . . 0.0 110.175 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.56 -39.42 87.9 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.035 -1.041 . . . . 0.0 108.954 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.08 -45.9 91.36 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.836 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.62 -19.12 65.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.223 -0.923 . . . . 0.0 108.962 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.472 HH11 ' HG2' ' B' ' 37' ' ' ARG . 30.1 mtt-85 -89.47 0.74 56.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.166 -0.959 . . . . 0.0 110.667 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.87 3.37 42.58 Favored Glycine 0 N--CA 1.504 3.203 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.772 177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -104.57 74.46 1.16 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.395 . . . . 0.0 108.125 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -81.98 -10.14 59.35 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.488 -0.757 . . . . 0.0 110.575 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -135.79 156.97 47.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.129 -0.982 . . . . 0.0 110.08 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.4 89.7 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -60.64 -19.62 58.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.358 -1.464 . . . . 0.0 111.655 -176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 51.0 t -78.08 -32.6 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.392 -1.442 . . . . 0.0 107.415 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.86 -38.23 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.653 HD22 ' CE ' ' B' ' 15' ' ' MET . 46.8 tp -60.09 -39.08 84.87 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.88 -40.44 96.81 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -41.19 91.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.998 -1.295 . . . . 0.0 108.732 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.34 -38.66 81.72 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.01 -30.47 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.386 -0.821 . . . . 0.0 110.16 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.72 15.64 7.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.07 -1.019 . . . . 0.0 109.978 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 50.21 32.97 6.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.864 -1.147 . . . . 0.0 110.246 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 48.3 mttp 60.78 20.12 10.26 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.656 -0.653 . . . . 0.0 110.803 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -66.41 115.84 6.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.692 -1.255 . . . . 0.0 107.892 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 87.1 tt0 -66.84 -41.09 88.0 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.156 -0.965 . . . . 0.0 113.007 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.78 -39.94 79.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.811 -1.181 . . . . 0.0 109.671 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.97 -38.44 76.06 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.336 -0.946 . . . . 0.0 108.774 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -63.39 -47.08 83.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.449 -0.782 . . . . 0.0 109.894 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.539 ' NH2' ' OE2' ' B' ' 56' ' ' GLU . 99.0 mtt180 -60.03 -46.16 90.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.353 -0.842 . . . . 0.0 111.33 -178.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.27 -36.66 84.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.695 -1.253 . . . . 0.0 108.922 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -63.54 -46.58 85.32 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 110.738 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.7 tp -67.78 -47.57 68.8 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.186 -0.946 . . . . 0.0 110.094 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -60.08 -48.41 81.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 109.214 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 65' ' ' ASP . 26.2 t0 -68.49 -31.66 71.1 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.691 -0.631 . . . . 0.0 109.676 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 52.6 m -75.47 -39.05 59.17 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.268 -0.895 . . . . 0.0 111.854 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 27.0 p -133.41 -31.0 1.25 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 120.393 -1.442 . . . . 0.0 112.322 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.15 15.63 12.45 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.63 153.31 1.21 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.937 -1.331 . . . . 0.0 109.048 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -89.79 172.25 9.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.802 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.92 73.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.498 -0.751 . . . . 0.0 110.569 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -71.41 -39.91 70.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.943 -1.098 . . . . 0.0 109.584 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -66.72 -39.58 88.06 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.443 -0.785 . . . . 0.0 110.765 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 11.2 p -66.68 -38.52 86.96 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.122 -0.986 . . . . 0.0 110.055 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -59.96 -37.94 81.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -68.05 -38.57 82.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.649 -1.282 . . . . 0.0 110.593 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 93.5 m -67.42 -40.02 85.51 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.852 -1.155 . . . . 0.0 110.252 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.01 -59.52 5.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.587 -1.321 . . . . 0.0 110.075 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.426 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -60.09 -32.29 75.5 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.09 -50.85 44.54 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.225 -1.162 . . . . 0.0 109.605 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.84 -40.02 72.62 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.559 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -61.14 -40.77 95.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.0 -1.062 . . . . 0.0 110.31 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 0.2 OUTLIER -70.0 -38.69 76.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.0 110.612 -179.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.631 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 81.0 t90 -60.2 -46.14 90.74 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.358 -1.464 . . . . 0.0 108.482 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.09 -40.03 88.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.414 -0.804 . . . . 0.0 109.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.0 -35.15 74.41 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.476 -0.765 . . . . 0.0 110.425 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.13 18.9 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.071 -1.018 . . . . 0.0 110.263 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.631 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 96.0 m-85 -104.87 -85.81 0.47 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.33 -0.856 . . . . 0.0 110.288 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.495 1.806 0 O-C-N 120.971 -1.081 . . . . 0.0 109.124 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m 51.86 -110.19 0.49 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 109.19 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.6 p -72.83 150.28 42.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.969 -1.082 . . . . 0.0 109.836 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -80.36 172.32 13.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.427 -0.796 . . . . 0.0 109.502 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.15 -25.36 68.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.667 -0.646 . . . . 0.0 109.982 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.67 -35.73 78.81 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.108 -0.995 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CE1' ' OE1' ' A' ' 83' ' ' GLU . 72.6 t60 -59.59 -49.19 78.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.166 -0.959 . . . . 0.0 110.461 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -69.97 -31.73 69.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.953 -1.092 . . . . 0.0 109.772 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.92 -38.89 69.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.563 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -67.36 -39.95 85.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 110.211 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.76 16.78 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.228 -0.92 . . . . 0.0 110.326 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.68 -4.63 9.74 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.342 -0.849 . . . . 0.0 110.663 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.28 150.48 23.8 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 120.768 -1.207 . . . . 0.0 109.282 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -42.23 159.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.708 1.605 . . . . 0.0 111.472 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.39 -21.93 21.71 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.885 -1.134 . . . . 0.0 109.051 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.92 -137.38 27.89 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -109.39 33.57 4.25 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.653 -0.91 . . . . 0.0 110.272 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -60.02 150.01 71.71 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.108 -0.995 . . . . 0.0 109.045 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.2 152.42 81.3 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.216 1.944 . . . . 0.0 112.083 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.89 -40.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 O-C-N 121.535 -0.728 . . . . 0.0 110.419 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.52 -4.3 12.7 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -82.5 -22.66 34.99 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.792 -1.417 . . . . 0.0 109.2 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.19 139.2 58.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.152 -0.967 . . . . 0.0 109.391 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 139.05 58.49 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.728 0.775 . . . . 0.0 110.208 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' O ' ' NE2' ' A' ' 73' ' ' GLN . . . 94.04 -14.58 65.0 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.76 116.99 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.06 -1.259 . . . . 0.0 108.27 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.61 178.74 36.84 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.26 -39.87 80.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -1.012 . . . . 0.0 110.433 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.92 -47.39 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 120.834 -1.166 . . . . 0.0 109.892 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.94 -37.13 85.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.204 -0.935 . . . . 0.0 109.791 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.02 96.43 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.61 -39.83 95.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.29 -1.124 . . . . 0.0 110.589 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.29 -44.17 79.91 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.753 -1.217 . . . . 0.0 109.979 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.65 -39.86 95.39 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.931 -1.105 . . . . 0.0 108.741 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -44.35 94.54 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.977 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -65.82 -19.37 65.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.227 -0.92 . . . . 0.0 108.813 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.92 -0.01 57.0 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.323 -0.861 . . . . 0.0 110.315 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.12 3.97 35.79 Favored Glycine 0 N--CA 1.504 3.2 0 O-C-N 121.151 -0.968 . . . . 0.0 111.807 177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -105.47 75.43 1.15 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.934 -1.333 . . . . 0.0 109.489 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -82.02 -13.15 57.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.482 -0.761 . . . . 0.0 109.72 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.06 151.39 50.66 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.393 -0.817 . . . . 0.0 109.469 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.74 94.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.617 -0.677 . . . . 0.0 111.275 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -60.0 -20.06 55.79 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.638 -1.289 . . . . 0.0 111.325 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -78.93 -32.54 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.476 -1.39 . . . . 0.0 107.313 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.1 t -75.41 -35.75 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.97 -39.24 84.96 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -44.4 91.53 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.49 -43.81 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.903 -1.351 . . . . 0.0 109.316 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.58 -39.38 81.0 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.0 -25.53 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.376 -0.828 . . . . 0.0 110.62 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -89.68 14.67 11.14 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.921 -1.112 . . . . 0.0 110.825 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.4 36.54 13.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.8 -1.188 . . . . 0.0 110.637 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 60.05 20.51 9.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.469 -0.769 . . . . 0.0 110.706 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -68.19 113.64 6.0 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.388 -1.445 . . . . 0.0 108.346 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.33 -40.66 93.98 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.545 -0.722 . . . . 0.0 112.906 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.01 -39.33 75.9 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.701 -1.249 . . . . 0.0 109.899 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -69.81 -39.09 76.73 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 119.115 -1.034 . . . . 0.0 109.066 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.28 -46.92 84.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.055 -1.028 . . . . 0.0 109.772 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -60.01 -46.06 90.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.407 -0.808 . . . . 0.0 111.18 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.86 -38.13 89.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.76 -1.212 . . . . 0.0 108.641 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -61.46 -49.38 77.05 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.99 -48.69 65.09 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.996 -1.065 . . . . 0.0 110.141 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.47 -47.44 85.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.965 . . . . 0.0 109.588 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -68.39 -30.28 69.16 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.712 -0.617 . . . . 0.0 109.766 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.5 m -79.44 -33.61 42.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -0.929 . . . . 0.0 111.159 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.6 p -132.98 -29.72 1.43 Allowed 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.556 -1.34 . . . . 0.0 112.382 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.02 15.54 16.02 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.84 154.16 2.21 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.123 -1.222 . . . . 0.0 109.271 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -90.88 171.8 9.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.024 -1.047 . . . . 0.0 110.024 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.77 72.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.614 -0.679 . . . . 0.0 110.939 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' NZ ' ' CB ' ' A' ' 72' ' ' LYS . 9.3 mtpm? -72.08 -40.2 68.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.758 -1.214 . . . . 0.0 110.439 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 25' ' ' GLY . 28.5 mm100 -68.59 -36.69 79.04 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.22 -0.925 . . . . 0.0 110.625 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 -38.07 81.22 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 110.034 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.83 -37.57 82.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.868 -1.145 . . . . 0.0 110.046 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -67.93 -39.88 83.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.586 -1.321 . . . . 0.0 110.762 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 68.7 m -69.39 -39.95 77.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.893 -1.129 . . . . 0.0 110.49 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -60.34 -59.93 4.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.701 -1.249 . . . . 0.0 110.142 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.38 -32.46 77.33 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -68.6 -49.17 61.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.196 -1.179 . . . . 0.0 109.823 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.04 -40.0 75.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 109.546 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -60.69 -40.16 91.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.105 -0.997 . . . . 0.0 110.24 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' CE1' ' A' ' 7' ' ' HIS . 97.0 mt-10 -70.12 -37.72 75.4 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.196 -0.94 . . . . 0.0 110.942 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.635 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 90.8 t90 -62.33 -43.73 98.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.341 -1.474 . . . . 0.0 109.104 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 89' ' ' LEU . 65.0 m -60.23 -40.08 88.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 109.844 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.96 -30.47 67.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.891 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.37 -33.58 13.81 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.166 -0.959 . . . . 0.0 111.086 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.635 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 97.7 m-85 -109.94 0.39 18.56 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.293 -0.88 . . . . 0.0 111.875 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 85' ' ' CYS . 12.7 tp . . . . . 0 N--CA 1.497 1.908 0 O-C-N 120.721 -1.237 . . . . 0.0 109.039 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 tpp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 23.2 m 51.76 -110.11 0.48 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.3 -0.875 . . . . 0.0 109.205 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 56.2 p -73.05 150.26 42.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.967 -1.083 . . . . 0.0 109.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -80.23 172.5 13.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.39 -0.819 . . . . 0.0 109.456 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.22 -25.35 68.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.736 -0.603 . . . . 0.0 110.024 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -35.92 79.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.144 -0.973 . . . . 0.0 109.3 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.435 ' CE1' ' OE1' ' B' ' 83' ' ' GLU . 72.7 t60 -59.48 -49.15 78.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.091 -1.006 . . . . 0.0 110.511 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.404 HH11 ' HG3' ' B' ' 8' ' ' ARG . 24.1 mmm-85 -70.04 -31.71 69.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.977 -1.077 . . . . 0.0 109.802 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.79 -39.24 70.04 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.347 -0.846 . . . . 0.0 110.51 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -67.07 -39.98 86.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.414 -0.804 . . . . 0.0 110.256 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 m -82.78 17.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.951 . . . . 0.0 110.277 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -4.89 9.68 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.432 -0.792 . . . . 0.0 110.734 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.13 150.51 24.1 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 120.75 -1.219 . . . . 0.0 109.295 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.26 159.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.67 1.58 . . . . 0.0 111.517 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 8.7 ptp -90.54 -21.42 21.8 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.886 -1.133 . . . . 0.0 109.113 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 -137.4 24.79 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -109.1 33.54 4.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.573 -0.957 . . . . 0.0 110.28 -178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -60.07 150.01 72.18 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.039 -1.038 . . . . 0.0 109.083 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.07 152.47 80.86 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.259 1.972 . . . . 0.0 112.073 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.93 -40.46 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.554 -0.716 . . . . 0.0 110.416 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 -3.93 11.51 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.8 t -82.87 -22.77 33.92 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.784 -1.421 . . . . 0.0 109.147 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.12 139.06 58.73 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.928 . . . . 0.0 109.375 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 138.96 58.49 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.79 0.805 . . . . 0.0 110.305 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' B' ' 73' ' ' GLN . . . 94.14 -14.41 65.37 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 34.1 mm -101.85 117.13 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.153 -1.204 . . . . 0.0 108.218 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.72 178.57 36.55 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.15 -40.02 80.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -1.009 . . . . 0.0 110.367 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.7 -47.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 120.908 -1.12 . . . . 0.0 109.832 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.76 -37.23 85.78 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.0 109.712 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -39.99 96.38 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -63.51 -40.08 96.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.245 -1.15 . . . . 0.0 110.501 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.609 -1.307 . . . . 0.0 110.029 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.67 -39.76 95.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.022 -1.049 . . . . 0.0 108.835 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.01 -44.39 94.61 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.953 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -65.81 -19.37 65.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 108.776 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -88.9 0.14 56.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.418 -0.801 . . . . 0.0 110.31 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.91 4.15 36.28 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 121.038 -1.039 . . . . 0.0 111.823 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.78 75.64 1.14 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.829 -1.394 . . . . 0.0 109.517 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -82.33 -12.98 57.63 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.827 -0.749 . . . . 0.0 109.781 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -130.03 151.55 50.45 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.333 -0.854 . . . . 0.0 109.487 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.51 93.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.639 -0.663 . . . . 0.0 111.302 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -60.0 -20.63 58.74 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.662 -1.274 . . . . 0.0 111.319 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -78.57 -32.47 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.441 -1.412 . . . . 0.0 107.228 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.5 -35.71 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.91 -39.61 86.0 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.14 -44.92 88.63 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -60.16 -43.76 95.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.962 -1.317 . . . . 0.0 109.245 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.12 -39.98 88.14 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.48 -39.86 81.17 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.61 -25.36 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.385 -0.822 . . . . 0.0 110.648 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.0 15.16 10.53 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.919 -1.113 . . . . 0.0 110.718 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp 50.03 36.59 12.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.807 -1.183 . . . . 0.0 110.672 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 60.01 20.07 9.18 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.508 -0.745 . . . . 0.0 110.682 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -67.76 113.8 5.83 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.375 -1.453 . . . . 0.0 108.252 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.41 -41.09 93.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.584 -0.697 . . . . 0.0 112.823 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -69.67 -39.26 77.11 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.576 -1.327 . . . . 0.0 109.889 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.87 -38.85 76.54 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.086 -1.045 . . . . 0.0 109.156 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.56 -46.85 84.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.084 -1.01 . . . . 0.0 109.813 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -59.95 -46.7 88.56 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.0 111.053 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.37 -37.99 89.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.75 -1.219 . . . . 0.0 108.771 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.4 t90 -61.66 -49.13 77.76 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.373 -0.829 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.14 -49.06 63.47 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.045 -1.034 . . . . 0.0 110.078 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -61.15 -47.43 86.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.883 . . . . 0.0 109.593 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.31 -30.46 69.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 51.9 m -79.29 -33.63 43.13 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.16 -0.963 . . . . 0.0 111.224 -178.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 25.5 p -132.88 -30.14 1.41 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.685 -1.259 . . . . 0.0 112.272 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.32 15.88 14.69 Favored Glycine 0 N--CA 1.501 2.989 0 N-CA-C 108.952 -1.659 . . . . 0.0 108.952 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.19 154.29 2.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.156 -1.202 . . . . 0.0 109.256 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -90.93 171.62 9.17 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.974 -1.079 . . . . 0.0 110.035 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.4 71.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.593 -0.692 . . . . 0.0 110.88 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -72.26 -40.23 67.83 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.527 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' B' ' 25' ' ' GLY . 28.6 mm100 -68.71 -36.4 78.4 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.309 -0.869 . . . . 0.0 110.629 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 53.8 p -68.58 -37.75 80.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.172 -0.955 . . . . 0.0 110.013 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.1 -37.29 82.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.869 -1.144 . . . . 0.0 110.095 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -68.17 -39.94 82.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.444 -1.41 . . . . 0.0 110.571 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.31 -40.13 77.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.781 -1.199 . . . . 0.0 110.489 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -60.2 -59.88 4.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.633 -1.292 . . . . 0.0 110.176 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.58 -32.34 77.9 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 51.5 t -68.58 -49.2 61.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.176 -1.191 . . . . 0.0 109.817 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.99 -39.96 75.6 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.612 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -60.84 -40.04 91.36 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.18 -0.95 . . . . 0.0 110.214 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.435 ' OE1' ' CE1' ' B' ' 7' ' ' HIS . 96.9 mt-10 -70.29 -37.73 74.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.225 -0.922 . . . . 0.0 110.877 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.627 ' NE1' ' CD2' ' B' ' 88' ' ' PHE . 90.7 t90 -62.33 -43.73 98.15 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.411 -1.431 . . . . 0.0 109.103 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' B' ' 89' ' ' LEU . 64.5 m -60.36 -39.91 88.89 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.209 -0.932 . . . . 0.0 109.822 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.07 -30.12 67.83 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.358 -0.839 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.68 -33.77 13.53 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.151 -0.968 . . . . 0.0 110.973 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.627 ' CD2' ' NE1' ' B' ' 84' ' ' TRP . 97.7 m-85 -109.64 0.02 18.85 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.254 -0.903 . . . . 0.0 111.846 -177.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 85' ' ' CYS . 12.4 tp . . . . . 0 N--CA 1.497 1.912 0 O-C-N 120.9 -1.125 . . . . 0.0 109.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.1 m -97.25 117.49 31.58 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.301 -0.874 . . . . 0.0 108.811 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.3 p -80.04 166.24 21.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.945 . . . . 0.0 109.774 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -70.01 156.51 39.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.393 -0.817 . . . . 0.0 109.198 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.88 -22.63 64.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.76 -0.588 . . . . 0.0 110.33 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -63.28 -39.82 95.66 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.131 -0.98 . . . . 0.0 110.148 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 11' ' ' VAL . 78.9 t60 -60.02 -50.33 74.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.909 -1.119 . . . . 0.0 110.504 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 8' ' ' ARG . 32.8 mtt-85 -70.1 -34.7 73.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.145 -0.972 . . . . 0.0 109.898 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.92 -39.9 72.42 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.456 -0.777 . . . . 0.0 110.332 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.89 -40.0 83.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 110.379 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 7' ' ' HIS . 19.5 m -83.77 15.96 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.03 -1.044 . . . . 0.0 109.989 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.98 -8.38 10.24 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.432 -0.793 . . . . 0.0 111.248 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.25 28.21 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 120.597 -1.315 . . . . 0.0 110.043 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.71 161.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.044 1.829 . . . . 0.0 112.039 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.47 ' CE ' HD22 ' A' ' 46' ' ' LEU . 5.2 ptp -90.93 -22.16 21.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.189 -0.944 . . . . 0.0 109.548 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.6 -142.03 12.31 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.757 -1.337 . . . . 0.0 109.757 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.39 29.47 5.18 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -1.05 . . . . 0.0 110.764 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -62.08 149.6 85.96 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 120.873 -1.142 . . . . 0.0 108.847 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.42 159.96 51.66 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.489 2.126 . . . . 0.0 112.898 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 21' ' ' GLY . 7.3 p -55.4 -48.27 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 CA-C-O 121.38 0.609 . . . . 0.0 111.154 -179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 20' ' ' VAL . . . -53.12 -3.84 0.15 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 20' ' ' VAL . 19.3 m -83.28 -22.64 32.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.833 -1.392 . . . . 0.0 109.373 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 81' ' ' LEU . 94.5 mt -63.59 139.33 58.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.158 -0.964 . . . . 0.0 109.29 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.28 134.88 55.58 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.639 0.733 . . . . 0.0 110.189 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.23 -18.27 56.79 Favored Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -95.93 116.47 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.032 -1.275 . . . . 0.0 108.234 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.46 170.64 39.03 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 45.9 mp0 -57.04 -40.04 76.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.271 -1.135 . . . . 0.0 110.377 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.17 -41.35 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.836 -1.165 . . . . 0.0 109.618 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.72 -37.25 81.97 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.745 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.99 -38.75 94.68 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.54 -39.22 92.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -1.069 . . . . 0.0 110.36 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.86 -44.56 76.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.742 -1.224 . . . . 0.0 109.943 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.0 -38.58 91.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.746 -1.221 . . . . 0.0 108.571 178.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.97 -40.01 87.61 Favored 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 119.891 -0.723 . . . . 0.0 109.255 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.94 -18.82 64.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.21 -0.931 . . . . 0.0 108.716 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.51 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.53 -0.731 . . . . 0.0 109.829 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.94 7.1 51.11 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 121.063 -1.023 . . . . 0.0 112.157 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 44' ' ' VAL . 93.3 m-85 -106.57 75.52 1.07 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 119.149 1.474 . . . . 0.0 108.941 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 p-10 -80.51 -9.03 59.78 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.524 -0.735 . . . . 0.0 111.112 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -137.63 159.87 40.77 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.997 -1.065 . . . . 0.0 109.983 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.01 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.671 . . . . 0.0 112.763 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -60.18 -19.13 52.66 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.402 -1.436 . . . . 0.0 111.244 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 39' ' ' PHE . 21.8 t -78.77 -33.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -75.08 -40.03 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.47 HD22 ' CE ' ' A' ' 15' ' ' MET . 58.9 tp -60.08 -38.81 83.97 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.07 79.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -59.97 -41.95 93.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.048 -1.266 . . . . 0.0 109.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.99 -39.97 87.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.383 -0.823 . . . . 0.0 108.839 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.34 -37.87 86.35 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.42 -26.67 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.254 -0.904 . . . . 0.0 110.247 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -90.05 13.55 14.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.025 -1.047 . . . . 0.0 110.838 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 47.67 39.89 10.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.695 -1.253 . . . . 0.0 110.717 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 59.86 19.99 8.9 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.454 -0.779 . . . . 0.0 110.134 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -68.6 113.31 5.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.618 -1.301 . . . . 0.0 108.301 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.47 -42.4 98.6 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.08 -39.0 75.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.469 -1.395 . . . . 0.0 110.846 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.02 -39.92 78.97 Favored 'General case' 0 C--N 1.292 -1.927 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.016 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -64.35 -44.47 91.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.052 -1.03 . . . . 0.0 109.689 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.0 -48.3 82.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.172 -0.955 . . . . 0.0 111.185 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -65.11 -37.96 89.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.685 -1.259 . . . . 0.0 109.494 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.43 ' O ' ' OG1' ' A' ' 66' ' ' THR . 68.3 t90 -61.28 -49.81 75.53 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.005 -1.06 . . . . 0.0 110.978 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.7 -48.04 67.67 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.138 -0.976 . . . . 0.0 110.297 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' GLY . 60.5 tttm -62.67 -47.5 83.39 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.189 -0.945 . . . . 0.0 109.349 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.11 -31.71 71.5 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.742 -0.599 . . . . 0.0 109.621 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 62' ' ' TRP . 64.3 m -79.31 -33.84 42.85 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.0 110.958 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.5 p -131.39 -28.3 1.89 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.641 -1.287 . . . . 0.0 112.17 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' LYS . . . 106.77 15.19 17.43 Favored Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.374 -1.491 . . . . 0.0 109.374 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.48 152.61 1.84 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.035 -1.273 . . . . 0.0 109.863 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -91.63 172.45 8.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.252 -0.905 . . . . 0.0 109.861 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -36.28 77.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.591 -0.693 . . . . 0.0 110.768 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 88.4 tttt -70.48 -41.39 72.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.964 -1.085 . . . . 0.0 110.091 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.75 -37.45 82.15 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.368 -0.833 . . . . 0.0 110.658 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 p -67.58 -38.33 83.9 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.134 -0.979 . . . . 0.0 110.093 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' HE ' ' HA ' ' A' ' 72' ' ' LYS . 82.3 mtm180 -60.97 -38.44 85.96 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.831 -1.168 . . . . 0.0 110.209 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.0 -39.99 83.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.542 -1.349 . . . . 0.0 110.668 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 69.4 m -68.42 -40.09 81.35 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.828 -1.17 . . . . 0.0 109.757 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.51 -60.03 4.45 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 120.452 -1.405 . . . . 0.0 109.847 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.09 85.2 Favored Glycine 0 N--CA 1.49 2.28 0 C-N-CA 120.287 -0.958 . . . . 0.0 110.964 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.83 -48.26 59.63 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.924 -1.339 . . . . 0.0 110.098 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HD22 ' A' ' 23' ' ' LEU . 90.2 mt -69.62 -39.58 77.08 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.823 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.36 -40.1 89.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.98 -39.46 75.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.148 -0.97 . . . . 0.0 111.226 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.611 ' CE2' ' CD2' ' A' ' 88' ' ' PHE . 83.6 t90 -61.98 -41.6 98.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.451 -1.406 . . . . 0.0 109.066 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 89' ' ' LEU . 67.1 m -61.46 -39.97 92.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 110.054 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.04 -29.03 68.24 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 110.446 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.19 -35.98 14.21 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.073 -1.017 . . . . 0.0 111.085 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' CD2' ' CE2' ' A' ' 84' ' ' TRP . 96.9 m-85 -112.12 0.72 15.98 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.382 -0.824 . . . . 0.0 111.817 -177.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' CYS . 48.2 tp . . . . . 0 N--CA 1.499 1.979 0 O-C-N 120.606 -1.309 . . . . 0.0 109.08 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.401 ' CG ' ' N ' ' B' ' 2' ' ' THR . 24.3 ptm . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.401 ' N ' ' CG ' ' B' ' 1' ' ' MET . 62.1 m -97.08 117.52 31.43 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.276 -0.89 . . . . 0.0 108.795 179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.5 p -80.02 166.24 21.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.93 . . . . 0.0 109.732 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 29.3 t -69.96 156.52 39.0 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.253 -0.904 . . . . 0.0 109.174 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.99 -22.62 64.69 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.883 -0.511 . . . . 0.0 110.18 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -63.23 -39.91 95.96 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.006 -1.059 . . . . 0.0 110.068 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.42 ' O ' HG22 ' B' ' 11' ' ' VAL . 79.0 t60 -59.96 -50.53 73.4 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.915 -1.115 . . . . 0.0 110.484 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' B' ' 8' ' ' ARG . 33.0 mtt-85 -70.02 -34.41 73.25 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.126 -0.984 . . . . 0.0 109.978 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.97 -39.97 72.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.436 -0.79 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -67.88 -39.98 83.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.245 -0.909 . . . . 0.0 110.37 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.42 HG22 ' O ' ' B' ' 7' ' ' HIS . 19.5 m -83.83 15.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.077 -1.014 . . . . 0.0 110.004 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.01 -8.28 10.25 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.33 -0.856 . . . . 0.0 111.21 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -152.74 152.33 28.36 Favored Pre-proline 0 N--CA 1.499 1.982 0 O-C-N 120.555 -1.341 . . . . 0.0 110.122 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -42.76 161.28 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.994 1.796 . . . . 0.0 112.079 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.474 ' CE ' HD22 ' B' ' 46' ' ' LEU . 5.1 ptp -90.83 -22.05 21.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.224 -0.922 . . . . 0.0 109.635 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.35 -141.9 11.44 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -102.31 29.45 5.16 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.399 -1.059 . . . . 0.0 110.747 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -62.1 149.4 86.61 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 120.883 -1.136 . . . . 0.0 108.885 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.33 159.98 51.6 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.471 2.114 . . . . 0.0 112.862 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.544 HG13 ' N ' ' B' ' 21' ' ' GLY . 7.0 p -55.38 -48.3 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.682 -0.636 . . . . 0.0 111.07 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.544 ' N ' HG13 ' B' ' 20' ' ' VAL . . . -53.11 -3.85 0.15 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -178.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.493 ' H ' ' C ' ' B' ' 20' ' ' VAL . 19.3 m -83.23 -22.81 33.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.825 -1.397 . . . . 0.0 109.342 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.51 139.27 58.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.94 . . . . 0.0 109.352 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.27 134.77 55.36 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.701 0.763 . . . . 0.0 110.21 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.34 -17.98 57.08 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.24 116.44 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.049 -1.265 . . . . 0.0 108.225 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.44 170.51 38.9 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 45.8 mp0 -57.1 -39.9 75.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.341 -1.094 . . . . 0.0 110.304 -178.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.2 t -69.3 -41.43 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.854 -1.154 . . . . 0.0 109.677 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.8 mt -67.43 -37.43 83.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.322 -0.861 . . . . 0.0 109.813 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.55 94.45 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.285 -1.526 . . . . 0.0 109.285 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.64 -39.09 92.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.409 -1.053 . . . . 0.0 110.382 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.82 -44.72 76.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.696 -1.252 . . . . 0.0 109.948 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.95 -38.73 92.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.91 -1.119 . . . . 0.0 108.536 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.81 -40.0 86.94 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.869 -0.732 . . . . 0.0 109.317 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -67.99 -18.82 64.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -90.52 3.24 54.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.536 -0.728 . . . . 0.0 109.78 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.99 6.99 51.27 Favored Glycine 0 N--CA 1.502 3.054 0 O-C-N 121.016 -1.052 . . . . 0.0 112.158 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.47 ' CD1' HG12 ' B' ' 44' ' ' VAL . 93.1 m-85 -106.6 75.56 1.07 Allowed 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 119.219 1.509 . . . . 0.0 108.898 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -80.41 -8.98 59.75 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.603 -0.685 . . . . 0.0 111.083 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -137.56 159.85 40.81 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.038 -1.039 . . . . 0.0 110.026 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.0 91.26 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.654 -0.654 . . . . 0.0 112.647 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -60.09 -19.31 52.65 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.251 -1.531 . . . . 0.0 111.185 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' B' ' 39' ' ' PHE . 21.7 t -78.62 -33.28 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.434 -1.416 . . . . 0.0 107.279 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.96 -40.0 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.474 HD22 ' CE ' ' B' ' 15' ' ' MET . 59.2 tp -60.04 -38.75 83.65 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.94 -42.82 81.52 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.138 -1.213 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.87 -40.1 87.52 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.378 -0.826 . . . . 0.0 108.951 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.31 -37.75 86.12 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.5 -26.72 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.196 -0.94 . . . . 0.0 110.228 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.07 13.78 14.06 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.08 -1.012 . . . . 0.0 110.784 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 47.48 39.96 10.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.701 -1.249 . . . . 0.0 110.606 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 59.88 19.93 8.88 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.416 -0.802 . . . . 0.0 110.204 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.69 113.73 6.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.464 -1.398 . . . . 0.0 108.24 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.77 -42.51 97.76 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.99 -38.91 76.14 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.532 -1.355 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.0 -39.96 79.0 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.961 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.44 -44.37 91.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.971 -1.081 . . . . 0.0 109.745 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.02 -48.51 81.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 111.056 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' B' ' 61' ' ' GLU . 0.7 OUTLIER -65.0 -37.95 89.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.668 -1.27 . . . . 0.0 109.562 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' TRP . . . . . 0.417 ' O ' ' OG1' ' B' ' 66' ' ' THR . 68.1 t90 -61.15 -49.85 75.55 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.03 -1.044 . . . . 0.0 110.954 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -67.78 -48.08 67.36 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.001 -1.062 . . . . 0.0 110.316 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' B' ' 68' ' ' GLY . 60.6 tttm -62.6 -47.53 83.39 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.03 -31.97 72.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.724 -0.61 . . . . 0.0 109.572 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 62' ' ' TRP . 65.0 m -78.96 -33.76 44.95 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.331 -0.855 . . . . 0.0 111.009 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' CYS . . . . . . . . . . . . . 31.4 p -131.56 -28.48 1.84 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.631 -1.293 . . . . 0.0 112.177 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' B' ' 64' ' ' LYS . . . 106.92 15.3 16.84 Favored Glycine 0 N--CA 1.502 3.06 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.36 152.8 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.091 -1.24 . . . . 0.0 109.842 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.78 172.75 8.26 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.197 -0.939 . . . . 0.0 109.953 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.24 77.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.403 -0.811 . . . . 0.0 110.79 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.453 ' HA ' ' HE ' ' B' ' 75' ' ' ARG . 88.5 tttt -70.63 -41.37 72.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.952 -1.093 . . . . 0.0 110.1 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -67.68 -37.49 82.42 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.359 -0.838 . . . . 0.0 110.609 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 10.1 p -67.53 -38.29 83.99 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.126 -0.984 . . . . 0.0 110.124 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' B' ' 72' ' ' LYS . 82.3 mtm180 -61.11 -38.34 85.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.851 -1.155 . . . . 0.0 110.209 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -67.93 -40.02 83.39 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.674 -1.266 . . . . 0.0 110.73 -177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.54 -40.02 80.87 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.908 -1.12 . . . . 0.0 109.779 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -58.48 -59.93 4.59 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.588 -1.32 . . . . 0.0 109.897 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.49 -33.12 85.46 Favored Glycine 0 N--CA 1.492 2.4 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.82 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.69 -48.39 59.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.89 -1.359 . . . . 0.0 110.205 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.71 -39.38 76.91 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.773 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.51 -40.11 90.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.331 -0.856 . . . . 0.0 109.98 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.04 -39.44 75.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.201 -0.937 . . . . 0.0 111.217 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TRP . . . . . 0.608 ' CE2' ' CD2' ' B' ' 88' ' ' PHE . 83.7 t90 -62.09 -41.47 98.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.481 -1.387 . . . . 0.0 109.099 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' B' ' 89' ' ' LEU . 67.1 m -61.52 -39.92 92.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.0 110.108 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.97 -29.22 68.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.868 . . . . 0.0 110.37 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -91.22 -35.92 14.23 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.037 -1.04 . . . . 0.0 111.076 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.608 ' CD2' ' CE2' ' B' ' 84' ' ' TRP . 97.1 m-85 -112.11 0.76 16.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.286 -0.884 . . . . 0.0 111.843 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' B' ' 85' ' ' CYS . 47.7 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 120.612 -1.305 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 stop_ save_