data_2e19_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 2e19 _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 ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.842 0.353 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -43.14 -47.64 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -49.15 -42.86 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 26.3 mt -70.45 -54.41 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.2 mptp? -36.24 -35.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.97 -59.36 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CD2' HG21 ' A' ' 36' ' ' ILE . 98.6 m-85 -62.38 -63.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.7 t80 -39.57 -28.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -49.78 -47.56 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.27 -38.91 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 21.1 t-20 -95.52 90.58 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.99 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -131.2 80.82 67.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 54.6 Cg_endo -69.77 137.6 35.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -72.78 -178.67 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -41.02 -40.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.98 -44.47 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 51' ' ' PHE . 16.1 mt -53.45 -60.46 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -46.21 -41.21 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -67.0 -60.88 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 21' ' ' TYR . 70.5 mt -45.77 -32.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -64.33 -57.01 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.84 -21.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -46.55 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -86.92 15.19 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 53.4 32.6 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 50.5 mt -122.89 156.63 61.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.466 ' CG ' HG21 ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.278 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -85.3 -21.6 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.03 -48.72 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 43' ' ' PRO . 40.5 t -58.77 -35.54 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.17 -39.35 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -57.22 -47.91 80.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -62.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 68.5 t90 -40.24 -52.16 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CD2' HD23 ' A' ' 33' ' ' LEU . 23.2 m-85 -56.99 -54.61 44.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.82 -31.99 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -43.74 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.566 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 2.3 tpp -66.58 -54.74 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.04 -31.87 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.48 -28.95 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.86 38.2 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -104.5 -47.84 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -43.19 -43.51 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.18 -56.98 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.56 -40.99 84.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -47.75 -28.19 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -49.92 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 36' ' ' ILE . 86.5 m-85 -61.51 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 26' ' ' ALA . 16.3 t80 -36.06 -40.9 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.58 -64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.3 pp -74.92 -41.5 59.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 40.2 t-20 -127.55 90.05 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB2' ' CE1' ' A' ' 22' ' ' TYR . . . -53.12 -69.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 1.9 pm0 -107.37 80.86 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.523 0.677 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.2 Cg_endo -69.69 161.79 44.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.2 m -97.78 163.18 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -36.9 -63.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.6 mm-40 -34.66 -40.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -85.24 -55.91 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 51' ' ' PHE . 12.4 mt -38.28 -63.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -43.42 -48.86 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -61.61 -56.42 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.542 HG22 ' CE1' ' A' ' 21' ' ' TYR . 61.0 mt -48.83 -30.87 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -68.59 -53.39 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -53.37 -18.6 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -84.7 -42.18 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -90.89 11.29 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 56.93 36.85 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 29.3 mt -127.64 157.48 73.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.524 0.678 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.78 175.05 8.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.93 -24.82 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -43.8 54.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 24.2 t -61.18 -42.75 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.29 -34.93 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -65.14 -48.42 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -59.37 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.462 ' CD1' HD13 ' A' ' 59' ' ' ILE . 76.6 t90 -42.62 -63.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 33' ' ' LEU . 10.6 m-85 -41.56 -49.05 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.68 -41.53 95.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.59 -58.94 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -56.36 -46.46 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 27' ' ' GLN . 67.5 mt-30 -59.71 -31.21 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.4 -31.06 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.58 22.11 7.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -83.46 -45.05 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 50' ' ' TRP . 74.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.874 0.369 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -48.27 -56.56 7.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.66 -44.98 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' LYS . 15.2 mt -68.0 -58.66 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE2' ' CD1' ' A' ' 15' ' ' LEU . 9.9 ttmm -36.29 -40.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.61 -56.71 1.02 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 36' ' ' ILE . 87.7 m-85 -56.57 -54.33 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.512 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 45.1 t80 -37.5 -40.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 4.5 pp -88.92 -43.48 11.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 46.2 t-20 -115.74 86.68 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . . . -62.07 -58.8 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.58 80.8 1.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.557 0.694 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.72 169.66 18.33 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -98.07 -175.04 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -54.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.34 -30.86 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -88.33 -37.86 15.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.7 mt -54.35 -64.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -46.24 -44.91 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 1.1 tmmt? -56.68 -62.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 21' ' ' TYR . 80.5 mt -47.13 -39.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -59.75 -54.4 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -48.25 -29.15 3.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.6 m -78.25 -42.68 30.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m -88.79 18.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 47.47 44.02 16.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 33.6 mt -133.77 157.2 78.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.67 174.64 9.14 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 11.2 tp -78.45 -24.5 46.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -51.83 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 33.0 t -51.42 -47.98 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.41 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -64.81 -52.39 57.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.67 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -38.62 -63.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 8.0 m-85 -44.56 -46.89 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -64.0 -41.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.48 -59.69 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.512 ' HE3' ' CD1' ' A' ' 22' ' ' TYR . 2.0 tmm? -57.2 -52.25 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 64.8 mt-30 -50.37 -28.26 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 -27.66 30.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.09 24.04 6.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.59 -45.44 8.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 50' ' ' TRP . 65.8 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -71.35 -37.59 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.64 -39.01 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -40.73 -41.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.52 -51.51 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.532 ' CD2' HG22 ' A' ' 36' ' ' ILE . 22.2 m-85 -68.43 -33.77 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -60.31 -39.14 85.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.81 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 25' ' ' ASN . 3.5 pp -68.82 -36.25 77.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.4 m120 -129.72 94.68 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.56 -52.29 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -128.5 80.85 71.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 154.04 68.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -91.26 164.22 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.86 -62.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . 42.1 mt-10 -36.15 -38.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -84.65 -55.07 4.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD13 ' CG ' ' A' ' 48' ' ' LYS . 12.1 mt -38.24 -59.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -58.06 10.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 HG22 ' CD2' ' A' ' 21' ' ' TYR . 77.3 mt -47.8 -27.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -78.05 -57.07 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -43.74 -25.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -74.82 -51.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.33 19.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 51.02 34.91 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 25.0 mt -121.5 156.07 58.63 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 52.8 Cg_endo -69.82 178.22 4.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.285 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -81.88 -21.89 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.87 -48.29 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 25.7 t -54.22 -42.74 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.12 -40.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CG ' HD13 ' A' ' 33' ' ' LEU . 48.0 mttt -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -53.55 -65.37 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.558 ' CH2' ' HE3' ' A' ' 54' ' ' MET . 79.8 t90 -36.99 -57.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -49.5 -51.97 32.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.24 -32.41 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -74.36 -45.07 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.558 ' HE3' ' CH2' ' A' ' 50' ' ' TRP . 4.0 tpp -66.45 -54.13 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -52.53 -26.89 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.54 -24.77 25.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.02 33.8 5.63 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -98.72 -44.99 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 15.9 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.719 0.295 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 67.0 m -35.59 -48.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -47.35 -58.16 4.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' LYS . 21.9 mt -43.41 -43.91 5.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' LEU . 45.9 tttt -36.96 -42.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.29 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.47 -42.29 87.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 33.5 t80 -55.48 -34.05 64.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.98 -55.1 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 -51.43 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 25.4 t-20 -87.49 97.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.12 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -127.72 79.91 72.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.81 156.64 62.69 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -95.61 169.8 9.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -52.01 -60.5 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' ALA . 4.8 mm-40 -35.26 -37.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 27.5 mt-10 -85.39 -57.11 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLU . 12.3 mt -36.99 -53.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -50.55 -52.91 34.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -54.59 -60.13 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -46.86 -33.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -68.4 -53.85 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -49.61 -20.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -84.7 -43.67 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.56 20.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 46.91 40.88 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 34.1 mt -131.31 155.27 81.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.751 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.72 174.64 9.17 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -77.65 -27.03 50.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.66 -51.54 19.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 33.4 t -53.04 -46.08 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.57 -38.13 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -57.79 -53.01 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' TRP . 12.9 mptt -51.06 -60.72 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.548 ' CZ2' ' HE1' ' A' ' 54' ' ' MET . 70.9 t90 -36.08 -53.24 0.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 13.1 m-85 -56.83 -51.75 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.41 -32.51 64.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -53.48 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.567 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -58.29 -49.89 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.11 -28.61 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.76 -27.53 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.79 13.75 31.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.574 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -76.34 -47.89 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.209 179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.879 0.371 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 p -58.14 -44.6 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.51 -26.14 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.28 -38.95 49.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -48.29 -34.85 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.2 -37.18 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CD2' HG23 ' A' ' 36' ' ' ILE . 98.0 m-85 -84.25 -60.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 42.2 t80 -41.52 -44.79 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . -35.53 -61.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.86 -38.65 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -93.85 90.23 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.2 74.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.47 80.77 71.39 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.462 0.649 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 53.4 Cg_endo -69.73 146.19 59.62 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -87.68 -175.11 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.47 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.27 -37.24 7.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -82.59 -39.12 22.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 51' ' ' PHE . 16.4 mt -61.32 -57.3 12.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 t -47.21 -46.48 24.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -60.48 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 HG23 ' CD2' ' A' ' 21' ' ' TYR . 72.9 mt -42.01 -36.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -65.11 -40.66 94.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' LYS . 15.5 t70 -61.69 -19.92 62.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 t -83.02 -43.88 15.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -89.04 17.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 50.01 39.1 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 39.2 mt -128.76 156.47 77.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.83 174.57 9.37 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.626 2.217 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.89 -30.76 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.74 -60.74 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 41.0 t -43.15 -42.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.73 -39.27 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -57.44 -43.25 83.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -54.93 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 75.7 t90 -37.53 -55.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 33' ' ' LEU . 21.7 m-85 -50.61 -53.25 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.92 -32.48 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -72.46 -48.95 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.557 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 38.0 tpp -62.53 -55.98 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.47 -29.86 26.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -29.7 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.77 20.3 10.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -82.65 -44.02 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.838 0.351 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -53.35 -51.42 62.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.19 -26.91 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 20' ' ' ALA . 21.4 mt -90.07 -45.2 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -43.25 -24.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 18' ' ' LEU . . . -62.57 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -43.42 -40.9 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 21.0 t80 -55.14 -45.42 75.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.64 -58.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.34 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 12.3 t-20 -104.0 98.93 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -42.01 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.06 78.07 60.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.71 142.36 47.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.744 2.296 . . . . 0.0 112.341 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -84.64 -175.55 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.58 27.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.166 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -46.33 -33.11 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -87.18 -39.02 15.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 51' ' ' PHE . 16.7 mt -61.11 -55.09 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.41 -42.24 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.58 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.81 -36.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -60.18 -52.79 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.39 -20.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -83.86 -42.24 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -89.63 13.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.64 32.96 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 46.5 mt -123.21 156.71 62.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.49 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.81 -24.14 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.25 -54.14 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -50.15 -44.09 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.6 -41.94 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -56.43 -48.67 76.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -53.29 -65.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CZ2' ' HE3' ' A' ' 54' ' ' MET . 81.5 t90 -36.76 -58.67 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 16.9 m-85 -46.47 -48.95 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.05 -37.05 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -50.28 41.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.559 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 43.8 tpp -59.64 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -53.39 -28.62 30.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.82 -25.69 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.03 17.33 32.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -80.71 -45.75 16.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.858 0.361 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -58.14 -42.97 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.97 -52.41 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -40.37 -44.97 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' ALA . 44.8 mttp -38.33 -46.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -34.19 -56.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -66.61 -45.97 77.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 51.6 t80 -47.37 -33.36 5.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.04 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.25 -48.52 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 24.8 t-20 -105.85 92.23 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.86 -47.91 83.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.24 79.01 73.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.977 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.6 Cg_endo -69.71 149.45 67.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -84.35 163.4 19.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -44.41 -62.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 35.6 mm-40 -34.62 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.4 mm-40 -83.42 -55.8 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' CE2' ' A' ' 51' ' ' PHE . 10.1 mt -36.35 -52.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -50.71 -47.12 59.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -60.84 -57.23 13.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -51.27 -36.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -63.09 -56.13 19.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.42 -26.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.6 t -76.9 -47.44 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.22 20.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 46.49 43.9 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 35.3 mt -134.03 157.27 78.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.78 175.9 7.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CD1' ' CB ' ' A' ' 33' ' ' LEU . 12.9 tp -77.97 -27.92 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.23 -56.3 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 36.8 t -47.44 -44.61 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 33' ' ' LEU . 92.3 t -67.51 -41.52 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -56.32 -51.37 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.3 mptp? -51.12 -65.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 80.0 t90 -36.84 -58.63 0.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' HD23 ' A' ' 33' ' ' LEU . 18.9 m-85 -47.85 -51.79 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.48 -32.42 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -73.23 -47.27 44.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.555 ' HE2' ' CH2' ' A' ' 50' ' ' TRP . 12.6 tpp -64.57 -52.59 56.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.68 -28.48 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -27.78 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.15 -18.08 16.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -39.79 -42.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 ' NE1' ' A' ' 50' ' ' TRP . 79.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -62.93 -40.07 96.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.61 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' LYS . 40.5 mt -58.01 -51.37 69.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -38.48 -39.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.11 -58.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -57.05 -48.15 79.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.5 t80 -53.82 -20.25 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.77 97.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.64 -41.5 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.27 109.61 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.36 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.09 80.83 68.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 148.75 65.77 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.776 2.318 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 p -83.5 -176.21 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.9 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.91 -31.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 17.4 mm-40 -92.02 -54.88 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.3 mt -35.71 -46.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mmpt? -57.3 -57.49 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -51.5 -43.29 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . . . -62.7 -42.07 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -27.59 55.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -82.14 -44.02 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 37' ' ' ALA . 17.0 m -81.87 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.81 42.56 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 59.0 mt -133.31 155.35 80.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.85 174.17 9.97 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.755 2.303 . . . . 0.0 112.27 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 15.4 tp -77.39 -29.11 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -70.18 -57.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 25.6 t -46.21 -48.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.8 t -68.23 -40.81 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.04 -45.86 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -58.11 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CH2' ' HE1' ' A' ' 54' ' ' MET . 76.6 t90 -40.74 -57.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD2' HD22 ' A' ' 33' ' ' LEU . 15.0 m-85 -47.7 -49.72 27.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.37 -33.07 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -48.14 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.567 ' HE1' ' CH2' ' A' ' 50' ' ' TRP . 4.1 tpp -61.98 -54.15 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -54.9 -29.57 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.49 13.76 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.32 37.76 60.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -99.82 -48.83 4.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.4 t -75.71 -34.39 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.13 -21.85 35.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.48 -44.01 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -43.18 -38.23 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.57 -40.01 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -76.11 -56.25 4.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 26' ' ' ALA . 15.4 t80 -39.95 -32.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.51 8.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.0 pp -86.24 -37.17 18.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 49.0 t-20 -126.12 87.24 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 22' ' ' TYR . . . -52.87 -69.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.46 81.04 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 54.9 Cg_endo -69.72 151.19 69.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -74.54 178.46 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -59.2 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -42.49 -38.75 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -81.02 -39.71 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.28 -58.12 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -48.13 -43.2 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.777 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -65.13 -58.71 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.8 mt -48.12 -35.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -61.79 -49.42 76.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.2 -25.32 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -74.89 -41.39 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.13 11.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 58.82 27.62 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 37.2 mt -118.47 156.2 51.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.657 0.741 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 176.93 6.07 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.43 -23.48 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 -52.03 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.8 t -49.97 -47.49 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.11 -43.62 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -53.61 -50.69 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CD1' HD13 ' A' ' 59' ' ' ILE . 73.6 t90 -38.22 -61.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -44.31 -41.43 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -73.35 -40.73 64.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.95 -55.27 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -58.49 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -55.54 -34.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.93 -27.3 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.5 35.49 3.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -97.56 -49.58 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 50' ' ' TRP . 30.6 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 16' ' ' SER . 4.0 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.46 ' N ' HD11 ' A' ' 15' ' ' LEU . 5.0 m -48.82 -55.91 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -47.7 -37.78 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ALA . 14.8 mt -74.04 -54.73 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -37.62 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -59.27 -53.9 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD2' HG22 ' A' ' 36' ' ' ILE . 89.2 m-85 -63.95 -53.33 51.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 22.7 t80 -52.16 -34.34 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.78 -53.14 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.24 -39.21 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 23.8 t-20 -96.16 99.69 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.17 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -131.89 80.1 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.473 0.654 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 53.5 Cg_endo -69.81 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.615 2.21 . . . . 0.0 112.4 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -97.03 -175.12 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -42.12 -42.14 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.88 -39.58 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 21.6 mt -59.55 -54.99 40.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -49.5 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ASP . 21.5 tttp -60.58 -62.06 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 21' ' ' TYR . 29.6 mt -42.74 -34.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -73.76 -37.39 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LYS . 5.9 m-20 -63.48 -11.16 21.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -93.42 -35.94 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 m -93.03 9.02 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.99 30.85 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 70.4 mt -123.18 155.41 64.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.532 0.682 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' CG ' HG21 ' A' ' 46' ' ' VAL . 53.8 Cg_endo -69.69 -177.27 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 14.0 tp -83.17 -25.15 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER -76.35 -53.0 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG21 ' CG ' ' A' ' 43' ' ' PRO . 54.7 t -56.73 -40.35 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.07 -37.76 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -57.57 -43.65 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.1 mptm? -55.14 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 57.6 t90 -36.62 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -58.1 -57.79 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.09 -29.88 46.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.53 -50.14 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.562 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 50.5 tpp -61.99 -55.57 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.57 -30.75 32.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.47 -26.08 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.45 17.37 22.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -77.95 -49.86 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 50' ' ' TRP . 59.4 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 50' ' ' TRP . 42.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -59.92 -46.41 89.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -47.57 -55.62 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.38 -43.08 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 ttmp? -39.32 -42.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -36.44 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.478 ' CD2' HG21 ' A' ' 36' ' ' ILE . 97.2 m-85 -55.64 -58.3 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 14.2 t80 -36.16 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.69 -61.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.1 pp -79.93 -39.34 30.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 58.3 t-20 -126.51 88.12 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 22' ' ' TYR . . . -52.55 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.4 pt20 -107.41 81.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.72 165.58 30.43 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -91.56 -176.82 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.66 5.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -42.92 -40.25 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -78.07 -40.17 39.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.71 -62.63 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.6 t -45.99 -44.84 15.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.88 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 21' ' ' TYR . 20.1 mt -48.88 -35.36 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -61.42 -59.45 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.05 -33.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 m -70.82 -46.72 62.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 m -85.06 14.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 50.92 42.34 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 35.7 mt -133.3 157.01 79.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.63 174.7 9.02 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.419 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -79.35 -25.25 42.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -47.09 37.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 28.1 t -58.17 -40.61 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.89 -41.09 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -58.78 -54.27 49.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -50.65 -60.11 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.423 ' CD1' HD22 ' A' ' 15' ' ' LEU . 75.2 t90 -39.54 -58.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -45.25 -46.74 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.99 -46.5 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.44 -49.11 75.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.39 -42.14 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.03 -29.92 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.88 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.34 47.23 89.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -112.24 -44.93 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -64.25 -25.05 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.24 -45.63 14.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -42.17 54.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -43.53 -39.59 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.81 -59.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.556 ' CD2' HG21 ' A' ' 36' ' ' ILE . 64.1 m-85 -64.63 -54.4 32.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 84.1 t80 -48.31 -23.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.26 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 -39.35 7.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' OD1' ' CA ' ' A' ' 28' ' ' PRO . 34.1 t-20 -101.45 85.72 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.67 -60.11 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -117.42 80.78 13.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.484 0.659 . . . . 0.0 110.952 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CA ' ' OD1' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.84 167.33 24.85 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 p -98.61 -177.24 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -56.3 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -43.83 -37.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -83.44 -45.04 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.17 -55.45 17.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.9 t -45.26 -55.4 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -55.89 -61.23 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.556 HG21 ' CD2' ' A' ' 21' ' ' TYR . 69.8 mt -39.8 -36.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -68.93 -45.44 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.55 -19.37 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -83.55 -48.61 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.62 19.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.62 36.93 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 29.4 mt -124.68 157.66 64.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -178.98 2.61 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.605 2.204 . . . . 0.0 112.401 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.02 -25.41 29.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.1 -54.66 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 t -50.47 -42.92 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.64 -43.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -53.4 -49.05 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' TRP . 5.6 mptt -54.13 -65.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CH2' ' HE3' ' A' ' 54' ' ' MET . 80.1 t90 -36.23 -58.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -49.51 -52.97 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.16 -28.44 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.04 30.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.554 ' HE3' ' CH2' ' A' ' 50' ' ' TRP . 3.1 tpp -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.99 -29.92 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 -27.27 51.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.27 22.19 12.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -87.26 -44.27 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 50' ' ' TRP . 74.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.726 0.298 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 m -43.33 -39.1 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.89 -43.62 66.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 HD12 ' CG ' ' A' ' 50' ' ' TRP . 16.2 mt -67.42 -46.93 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.22 -32.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.19 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.558 ' CE2' HG23 ' A' ' 36' ' ' ILE . 11.3 m-85 -71.43 -55.78 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 34.4 t80 -35.95 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -58.55 -57.35 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -79.43 -33.32 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.4 m120 -135.01 93.2 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.24 -50.46 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 79.58 64.67 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 p -94.19 -176.55 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.85 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.38 -38.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.95 -45.59 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' CE2' ' A' ' 51' ' ' PHE . 13.5 mt -47.84 -53.81 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -48.25 -50.34 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -60.66 -55.74 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 21' ' ' TYR . 84.9 mt -45.87 -33.46 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -75.12 -46.23 35.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -51.1 -19.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -85.32 -45.27 12.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 m -86.81 18.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 49.94 36.27 11.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 38.3 mt -125.18 157.02 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.616 0.722 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.54 3.62 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.672 2.248 . . . . 0.0 112.42 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 7.7 tp -82.75 -27.14 31.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.38 -52.48 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -53.98 -41.9 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' CB ' ' A' ' 37' ' ' ALA . 79.1 t -69.18 -37.9 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -62.09 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.439 ' CH2' ' HE1' ' A' ' 54' ' ' MET . 68.3 t90 -38.62 -52.18 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CE2' HD23 ' A' ' 33' ' ' LEU . 12.8 m-85 -54.56 -57.98 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.74 -33.23 60.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.7 -43.24 63.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.439 ' HE1' ' CH2' ' A' ' 50' ' ' TRP . 21.2 tpp -66.83 -50.76 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -55.34 -26.79 43.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.75 -22.39 27.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.26 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -94.79 -46.97 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 50' ' ' TRP . 26.6 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' HB3' ' NE1' ' A' ' 50' ' ' TRP . 36.7 mt . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -45.5 -41.87 10.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.96 -53.17 59.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -42.82 -40.54 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 22.2 tttt -45.84 -41.71 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -35.64 -48.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' A' ' 36' ' ' ILE . 96.8 m-85 -68.36 -52.53 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CG ' ' HA ' ' A' ' 26' ' ' ALA . 9.5 t80 -38.56 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -53.8 -51.88 62.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.2 pp -87.6 -39.61 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -129.68 94.09 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HA ' ' CG ' ' A' ' 22' ' ' TYR . . . -54.56 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.28 80.74 2.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 54.1 Cg_endo -69.78 134.89 29.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.581 2.187 . . . . 0.0 112.382 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -61.09 -175.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.25 -58.57 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -41.89 -37.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -83.21 -51.23 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 10.3 mt -42.9 -60.58 1.55 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -39.44 -43.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -59.9 -62.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.552 HG21 ' CE2' ' A' ' 21' ' ' TYR . 5.1 mp -46.08 -42.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -55.66 -59.86 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.61 -28.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -76.38 -48.58 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.08 19.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 45.94 37.8 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 29.8 mt -127.46 157.86 71.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.584 0.707 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -179.05 2.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.8 tp -85.71 -24.24 27.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.23 -46.61 40.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.91 -42.78 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.13 -32.77 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -65.51 -55.42 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -47.72 -61.83 1.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CH2' ' SD ' ' A' ' 54' ' ' MET . 79.4 t90 -37.89 -62.01 0.59 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 10.1 m-85 -42.9 -46.16 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.64 -36.35 80.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.0 -57.03 13.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' CH2' ' A' ' 50' ' ' TRP . 18.4 ttp -63.01 -42.24 99.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 56.3 mt-30 -59.08 -24.82 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.55 -26.52 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.03 25.03 7.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.95 -46.42 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 -43.16 93.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.4 -46.77 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.85 -45.01 79.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -38.35 -44.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.12 -61.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 36' ' ' ILE . 88.9 m-85 -64.35 -54.78 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.468 ' CE2' ' HE2' ' A' ' 54' ' ' MET . 80.0 t80 -36.05 -40.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -62.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 3.3 pp -71.51 -35.79 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -129.46 87.44 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -56.07 -42.31 76.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.488 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 10.6 pt20 -122.5 80.91 46.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.486 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.73 150.11 67.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 p -78.53 -179.44 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.79 -62.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -40.58 -39.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -76.69 -45.19 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 51' ' ' PHE . 8.8 mt -49.95 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -41.04 -49.9 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 21' ' ' TYR . 19.4 mt -44.57 -45.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -45.79 -41.8 11.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -54.86 -41.03 70.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.4 p -61.32 -50.92 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -81.62 15.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 47.0 35.65 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 34.8 mt -122.87 157.49 59.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.623 0.725 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' CG ' HG23 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 178.38 4.65 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 13.5 tp -80.2 -23.98 40.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.59 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' CG ' ' A' ' 43' ' ' PRO . 42.4 t -50.02 -39.61 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.64 -41.58 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -57.59 -52.41 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.29 -66.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 80.0 t90 -38.39 -59.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 7.7 m-85 -44.29 -48.66 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.15 -33.21 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -64.5 -55.09 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.571 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.3 ttp -58.85 -53.26 60.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.91 -35.93 62.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.67 -30.09 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.89 36.37 2.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.24 -44.31 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 50' ' ' TRP . 27.0 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.882 0.372 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -46.04 -43.71 14.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.9 -48.74 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.48 -51.09 61.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -38.99 -40.44 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.33 -46.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' CD2' HG21 ' A' ' 36' ' ' ILE . 74.8 m-85 -76.98 -35.65 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 64.4 t80 -59.1 -43.8 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.02 -62.74 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -74.21 -46.65 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 40.2 t-20 -122.84 92.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -54.79 -61.76 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.81 80.81 4.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.13 32.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -82.52 168.86 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -50.55 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . 23.1 mt-10 -35.77 -39.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.44 -41.68 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 51' ' ' PHE . 19.1 mt -59.29 -64.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.0 t -44.51 -45.93 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -57.82 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 HG21 ' CD2' ' A' ' 21' ' ' TYR . 42.6 mt -48.46 -35.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -66.46 -47.05 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.9 -17.66 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.8 m -86.54 -41.68 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -90.68 15.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 54.43 34.65 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 28.6 mt -123.5 155.03 66.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.47 4.54 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.732 2.288 . . . . 0.0 112.318 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -81.35 -27.74 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -54.62 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 t -49.3 -52.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.68 -41.46 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -59.93 -47.95 83.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 mptp? -55.88 -64.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 84.2 t90 -38.14 -55.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.521 ' CE2' HD21 ' A' ' 33' ' ' LEU . 9.5 m-85 -45.94 -38.96 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' LYS . 15.2 mm-40 -75.54 -24.66 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' CB ' HG12 ' A' ' 59' ' ' ILE . 28.3 mmtt -72.54 -56.97 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.588 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.6 ttp -58.45 -41.9 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.48 -29.48 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.0 -27.34 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.55 -15.12 19.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.9 -46.81 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.299 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.429 HG12 ' CB ' ' A' ' 53' ' ' LYS . 5.6 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -81.4 -36.47 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -63.98 -43.21 96.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.15 -36.06 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -33.4 8.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.25 22.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' CE1' HG22 ' A' ' 36' ' ' ILE . 61.2 m-85 -71.8 -58.39 3.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 1.2 t80 -35.99 -42.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.48 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 3.1 pp -66.82 -39.65 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -121.07 91.25 3.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.55 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 26' ' ' ALA . 1.9 pm0 -131.73 84.56 54.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.449 0.642 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.82 146.26 59.3 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 164.42 20.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.16 -64.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' ALA . 46.8 mt-10 -34.83 -36.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.0 mt-10 -88.28 -54.8 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' CE2' ' A' ' 51' ' ' PHE . 13.8 mt -36.48 -62.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -39.99 -56.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 8.4 mptt -56.51 -48.68 76.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG22 ' CE1' ' A' ' 21' ' ' TYR . 62.2 mt -57.16 -29.11 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -75.13 -52.82 10.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.68 -24.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 t -72.92 -48.86 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -85.68 14.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 57.81 32.9 22.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 26.5 mt -121.84 155.57 60.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 174.68 9.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -78.33 -22.8 47.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -46.74 24.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 20.2 t -55.65 -46.28 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 -37.99 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -58.67 -43.01 89.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.27 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -38.78 -49.86 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CE2' HD22 ' A' ' 33' ' ' LEU . 9.5 m-85 -53.91 -58.1 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.21 -28.89 56.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.51 -42.88 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.53 ' HE2' ' CD2' ' A' ' 22' ' ' TYR . 2.5 tmm? -71.88 -37.6 70.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.63 -26.67 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.65 -31.21 28.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.63 20.78 8.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -85.66 -40.47 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.449 HD13 ' N ' ' A' ' 54' ' ' MET . 63.6 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -44.66 -53.3 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.66 -45.04 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.76 -46.9 83.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -45.39 -31.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.89 -63.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 36' ' ' ILE . 98.4 m-85 -56.03 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' TYR . 30.4 t80 -35.87 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -60.63 -56.44 21.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 25' ' ' ASN . 3.9 pp -76.94 -39.94 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -110.69 104.22 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -131.01 81.17 67.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.69 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.418 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.76 159.32 53.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 p -89.6 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -57.35 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -39.07 -36.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -85.95 -54.15 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.545 HD23 ' CE2' ' A' ' 51' ' ' PHE . 15.8 mt -37.89 -45.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.9 t -54.59 -53.26 56.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -53.59 -58.4 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 21' ' ' TYR . 4.1 mp -47.94 -34.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -71.3 -41.89 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.55 -20.71 57.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -81.35 -40.2 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 m -92.44 14.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.86 28.53 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 mt -116.37 156.1 47.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.694 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.72 174.42 9.51 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.66 -23.24 49.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.48 -53.17 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 33.2 t -48.99 -53.22 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.42 -42.26 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -53.07 -54.71 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -47.63 -62.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 76.4 t90 -37.25 -57.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' HD23 ' A' ' 33' ' ' LEU . 29.8 m-85 -52.57 -50.89 62.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.72 -35.27 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -72.6 -54.77 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.569 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 51.0 tpp -57.88 -54.3 48.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.72 -29.28 59.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.61 -28.18 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.04 21.58 9.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.18 -49.78 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LEU . 75.2 m -34.48 -39.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.69 -58.34 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.17 -43.34 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -40.18 -40.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.89 9.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 36' ' ' ILE . 83.2 m-85 -72.66 -59.66 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE2' ' SD ' ' A' ' 54' ' ' MET . 49.0 t80 -38.35 -35.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.84 -58.35 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.43 -41.79 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 94.19 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -60.21 -57.04 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.14 80.96 2.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 160.47 49.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.573 2.182 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -83.01 -176.55 6.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.0 -60.67 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -39.01 -37.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.11 -54.05 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -37.23 -62.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -42.89 -56.92 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -55.15 -55.6 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 21' ' ' TYR . 78.9 mt -49.0 -31.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.37 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.25 -20.9 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -78.77 -48.11 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -84.43 15.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 m120 53.69 30.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.5 mt -116.46 155.44 48.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.86 174.83 9.02 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -76.2 -26.81 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -56.85 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 41.2 t -46.77 -47.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.76 -40.04 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -59.43 -53.5 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -51.71 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 78.3 t90 -38.23 -57.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -48.76 -52.05 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -63.02 -25.18 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.52 -40.76 41.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 22' ' ' TYR . 1.4 ttm -71.86 -46.34 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.09 -27.35 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.13 39.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.73 26.16 5.95 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -94.28 -44.03 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -72.54 115.9 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.812 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -128.4 143.4 50.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.66 174.31 24.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 12.9 m -129.32 122.57 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.2 m -36.0 108.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.65 -83.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -129.14 156.27 78.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 169.64 18.39 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.79 177.58 5.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 1.6 tt -81.43 130.78 35.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.0 -36.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.406 ' CG ' HD22 ' A' ' 11' ' ' LEU . 99.5 m-20 -47.64 -48.85 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 15' ' ' LEU . 7.7 tt -42.71 -60.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 14' ' ' LEU . 13.5 mt -36.64 -46.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -43.14 -47.64 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -49.15 -42.86 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 26.3 mt -70.45 -54.41 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.2 mptp? -36.24 -35.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.97 -59.36 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.52 ' CD2' HG21 ' A' ' 36' ' ' ILE . 98.6 m-85 -62.38 -63.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.7 t80 -39.57 -28.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -49.78 -47.56 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.27 -38.91 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 21.1 t-20 -95.52 90.58 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.99 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -131.2 80.82 67.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 54.6 Cg_endo -69.77 137.6 35.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -72.78 -178.67 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -41.02 -40.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.98 -44.47 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 51' ' ' PHE . 16.1 mt -53.45 -60.46 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -46.21 -41.21 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -67.0 -60.88 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.52 HG21 ' CD2' ' A' ' 21' ' ' TYR . 70.5 mt -45.77 -32.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -64.33 -57.01 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.84 -21.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -46.55 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -86.92 15.19 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 53.4 32.6 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 50.5 mt -122.89 156.63 61.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' CG ' HG21 ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.278 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -85.3 -21.6 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.03 -48.72 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 43' ' ' PRO . 40.5 t -58.77 -35.54 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.17 -39.35 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -57.22 -47.91 80.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -62.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 68.5 t90 -40.24 -52.16 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CD2' HD23 ' A' ' 33' ' ' LEU . 23.2 m-85 -56.99 -54.61 44.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.82 -31.99 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -43.74 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.566 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 2.3 tpp -66.58 -54.74 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.04 -31.87 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.48 -28.95 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.86 38.2 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -104.5 -47.84 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.5 mm -53.48 -40.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.1 t -156.91 115.98 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 62' ' ' GLN . 13.6 p -50.98 -27.83 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' N ' HG11 ' A' ' 61' ' ' VAL . 41.0 mt-30 -100.22 88.41 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.0 m -108.51 153.85 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -53.85 -45.52 70.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -136.07 167.8 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.07 -99.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -130.78 89.78 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -92.42 104.46 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 80.65 -60.69 4.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 54.1 mt-30 -34.88 144.71 0.2 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.55 0.69 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 148.6 64.75 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.594 2.196 . . . . 0.0 112.249 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.19 147.67 53.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -58.77 -37.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 6.5 m-80 -47.34 -21.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.68 -46.45 58.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.93 -50.55 5.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -43.19 -43.51 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.0 mt -56.18 -56.98 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.56 -40.99 84.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -47.75 -28.19 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -49.92 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 36' ' ' ILE . 86.5 m-85 -61.51 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 26' ' ' ALA . 16.3 t80 -36.06 -40.9 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.58 -64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.3 pp -74.92 -41.5 59.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 40.2 t-20 -127.55 90.05 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB2' ' CE1' ' A' ' 22' ' ' TYR . . . -53.12 -69.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 1.9 pm0 -107.37 80.86 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.523 0.677 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.2 Cg_endo -69.69 161.79 44.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.2 m -97.78 163.18 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -36.9 -63.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.6 mm-40 -34.66 -40.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -85.24 -55.91 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 51' ' ' PHE . 12.4 mt -38.28 -63.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -43.42 -48.86 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -61.61 -56.42 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.542 HG22 ' CE1' ' A' ' 21' ' ' TYR . 61.0 mt -48.83 -30.87 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -68.59 -53.39 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -53.37 -18.6 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -84.7 -42.18 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -90.89 11.29 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 56.93 36.85 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 29.3 mt -127.64 157.48 73.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.524 0.678 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.78 175.05 8.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.93 -24.82 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -43.8 54.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 24.2 t -61.18 -42.75 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.29 -34.93 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -65.14 -48.42 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -59.37 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.462 ' CD1' HD13 ' A' ' 59' ' ' ILE . 76.6 t90 -42.62 -63.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 33' ' ' LEU . 10.6 m-85 -41.56 -49.05 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.68 -41.53 95.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.59 -58.94 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -56.36 -46.46 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 27' ' ' GLN . 67.5 mt-30 -59.71 -31.21 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.4 -31.06 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.58 22.11 7.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -83.46 -45.05 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 50' ' ' TRP . 74.6 mt -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 45.46 41.69 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.28 -25.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -87.16 96.62 10.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.68 117.05 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.768 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t 59.9 41.32 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -108.01 156.74 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 -176.59 40.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -148.49 152.8 37.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -69.49 -45.65 68.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 -88.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -44.08 153.36 0.43 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.493 0.663 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.7 65.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -179.44 2.95 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.62 2.213 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' H ' ' CD2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -41.75 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -55.48 -25.77 38.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -58.42 -25.9 62.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tp -48.59 -55.13 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -67.64 -36.59 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -48.27 -56.56 7.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.66 -44.98 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' LYS . 15.2 mt -68.0 -58.66 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE2' ' CD1' ' A' ' 15' ' ' LEU . 9.9 ttmm -36.29 -40.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.61 -56.71 1.02 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 36' ' ' ILE . 87.7 m-85 -56.57 -54.33 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.512 ' CD1' ' HE3' ' A' ' 54' ' ' MET . 45.1 t80 -37.5 -40.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 4.5 pp -88.92 -43.48 11.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 46.2 t-20 -115.74 86.68 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . . . -62.07 -58.8 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.58 80.8 1.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.557 0.694 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.72 169.66 18.33 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -98.07 -175.04 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -54.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.34 -30.86 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -88.33 -37.86 15.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.7 mt -54.35 -64.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -46.24 -44.91 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 1.1 tmmt? -56.68 -62.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 21' ' ' TYR . 80.5 mt -47.13 -39.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -59.75 -54.4 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -48.25 -29.15 3.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.6 m -78.25 -42.68 30.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.2 m -88.79 18.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 47.47 44.02 16.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 33.6 mt -133.77 157.2 78.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.67 174.64 9.14 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 11.2 tp -78.45 -24.5 46.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -51.83 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 33.0 t -51.42 -47.98 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.41 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -64.81 -52.39 57.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.67 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -38.62 -63.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 8.0 m-85 -44.56 -46.89 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -64.0 -41.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.48 -59.69 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.512 ' HE3' ' CD1' ' A' ' 22' ' ' TYR . 2.0 tmm? -57.2 -52.25 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 64.8 mt-30 -50.37 -28.26 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 -27.66 30.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.09 24.04 6.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.59 -45.44 8.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.9 mt -78.69 85.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 82.9 p -174.51 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.52 118.16 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.09 134.05 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 p -170.22 142.43 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -137.89 144.68 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -77.57 81.83 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 116.51 0.37 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 140.63 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -87.8 155.76 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.49 -59.57 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.26 151.36 72.39 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.56 65.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 169.72 18.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.88 121.51 11.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 18.9 pttt -61.07 -32.37 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 2.9 t-20 -39.23 -44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 14' ' ' LEU . 3.0 pp -66.23 -36.65 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' CD1' ' A' ' 50' ' ' TRP . 65.8 mt -53.54 -42.2 67.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -71.35 -37.59 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.64 -39.01 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -40.73 -41.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.52 -51.51 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.532 ' CD2' HG22 ' A' ' 36' ' ' ILE . 22.2 m-85 -68.43 -33.77 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -60.31 -39.14 85.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.81 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 25' ' ' ASN . 3.5 pp -68.82 -36.25 77.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.4 m120 -129.72 94.68 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.56 -52.29 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -128.5 80.85 71.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 154.04 68.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -91.26 164.22 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.86 -62.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . 42.1 mt-10 -36.15 -38.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -84.65 -55.07 4.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD13 ' CG ' ' A' ' 48' ' ' LYS . 12.1 mt -38.24 -59.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -58.06 10.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 HG22 ' CD2' ' A' ' 21' ' ' TYR . 77.3 mt -47.8 -27.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -78.05 -57.07 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -43.74 -25.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -74.82 -51.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m -84.33 19.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 51.02 34.91 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 25.0 mt -121.5 156.07 58.63 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 52.8 Cg_endo -69.82 178.22 4.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.285 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tp -81.88 -21.89 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.87 -48.29 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 25.7 t -54.22 -42.74 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.12 -40.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CG ' HD13 ' A' ' 33' ' ' LEU . 48.0 mttt -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -53.55 -65.37 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.558 ' CH2' ' HE3' ' A' ' 54' ' ' MET . 79.8 t90 -36.99 -57.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -49.5 -51.97 32.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.24 -32.41 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -74.36 -45.07 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.558 ' HE3' ' CH2' ' A' ' 50' ' ' TRP . 4.0 tpp -66.45 -54.13 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -52.53 -26.89 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.54 -24.77 25.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.02 33.8 5.63 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -98.72 -44.99 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.76 -40.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -119.09 37.49 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.93 -28.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.85 139.95 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -48.14 97.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -128.7 -50.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.902 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 55.8 45.13 24.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.58 64.71 0.73 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -45.19 159.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -170.35 159.97 7.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.13 51.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 7.8 mm-40 -50.17 149.2 5.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.518 0.675 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.79 65.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.601 2.201 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 176.22 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -80.97 -33.3 33.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -44.84 -28.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.3 tm? -49.62 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 15.9 mt -76.45 -53.58 7.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 67.0 m -35.59 -48.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -47.35 -58.16 4.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' LYS . 21.9 mt -43.41 -43.91 5.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' LEU . 45.9 tttt -36.96 -42.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.29 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.47 -42.29 87.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 33.5 t80 -55.48 -34.05 64.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.98 -55.1 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.39 -51.43 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 25.4 t-20 -87.49 97.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.12 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -127.72 79.91 72.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.81 156.64 62.69 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -95.61 169.8 9.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -52.01 -60.5 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' ALA . 4.8 mm-40 -35.26 -37.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 27.5 mt-10 -85.39 -57.11 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' GLU . 12.3 mt -36.99 -53.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -50.55 -52.91 34.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -54.59 -60.13 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -46.86 -33.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -68.4 -53.85 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -49.61 -20.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -84.7 -43.67 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.56 20.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 46.91 40.88 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 34.1 mt -131.31 155.27 81.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.751 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.72 174.64 9.17 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -77.65 -27.03 50.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.66 -51.54 19.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 33.4 t -53.04 -46.08 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.57 -38.13 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -57.79 -53.01 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' TRP . 12.9 mptt -51.06 -60.72 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.548 ' CZ2' ' HE1' ' A' ' 54' ' ' MET . 70.9 t90 -36.08 -53.24 0.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 13.1 m-85 -56.83 -51.75 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.41 -32.51 64.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -53.48 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.567 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -58.29 -49.89 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.11 -28.61 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.76 -27.53 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.79 13.75 31.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.574 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -76.34 -47.89 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.73 95.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.209 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.1 m -77.33 160.89 28.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -115.35 157.48 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -171.07 169.07 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.1 p -151.57 125.37 9.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -108.26 93.58 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -110.0 120.54 42.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.22 176.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -139.76 127.1 21.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -82.29 129.2 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.93 -59.66 3.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -88.76 144.17 32.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 162.2 42.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.403 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.94 147.8 38.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -54.97 -32.43 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -46.44 -32.25 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 1.4 tm? -61.08 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 14' ' ' LEU . 1.8 pp -55.22 -38.69 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 p -58.14 -44.6 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.51 -26.14 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.28 -38.95 49.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -48.29 -34.85 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.2 -37.18 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CD2' HG23 ' A' ' 36' ' ' ILE . 98.0 m-85 -84.25 -60.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 42.2 t80 -41.52 -44.79 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . -35.53 -61.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.86 -38.65 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -93.85 90.23 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.2 74.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.47 80.77 71.39 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.462 0.649 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 53.4 Cg_endo -69.73 146.19 59.62 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -87.68 -175.11 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.47 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.27 -37.24 7.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -82.59 -39.12 22.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 51' ' ' PHE . 16.4 mt -61.32 -57.3 12.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 t -47.21 -46.48 24.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -60.48 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 HG23 ' CD2' ' A' ' 21' ' ' TYR . 72.9 mt -42.01 -36.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -65.11 -40.66 94.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' LYS . 15.5 t70 -61.69 -19.92 62.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 t -83.02 -43.88 15.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -89.04 17.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 50.01 39.1 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 39.2 mt -128.76 156.47 77.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.83 174.57 9.37 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.626 2.217 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.89 -30.76 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.74 -60.74 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 41.0 t -43.15 -42.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.73 -39.27 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -57.44 -43.25 83.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -54.93 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 75.7 t90 -37.53 -55.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 33' ' ' LEU . 21.7 m-85 -50.61 -53.25 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.92 -32.48 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -72.46 -48.95 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.557 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 38.0 tpp -62.53 -55.98 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.47 -29.86 26.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -29.7 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.77 20.3 10.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -82.65 -44.02 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.97 122.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -123.19 115.84 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.09 102.63 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -48.91 -64.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -139.93 142.06 36.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -127.14 135.34 50.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -71.1 108.14 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 68.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -97.14 126.34 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -142.42 111.36 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.75 -75.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -96.07 155.04 38.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.742 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 160.17 50.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 -174.05 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.765 2.31 . . . . 0.0 112.366 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.51 106.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -48.77 -38.26 21.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -50.18 -32.15 15.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.63 -55.93 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.8 mt -51.6 -37.6 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.021 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -53.35 -51.42 62.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.19 -26.91 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 20' ' ' ALA . 21.4 mt -90.07 -45.2 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -43.25 -24.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 18' ' ' LEU . . . -62.57 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -43.42 -40.9 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 21.0 t80 -55.14 -45.42 75.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.64 -58.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -38.34 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 12.3 t-20 -104.0 98.93 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -42.01 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.06 78.07 60.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.71 142.36 47.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.744 2.296 . . . . 0.0 112.341 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -84.64 -175.55 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.58 27.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.166 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -46.33 -33.11 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -87.18 -39.02 15.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' CE2' ' A' ' 51' ' ' PHE . 16.7 mt -61.11 -55.09 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.41 -42.24 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.58 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.81 -36.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -60.18 -52.79 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.39 -20.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -83.86 -42.24 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -89.63 13.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.64 32.96 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 46.5 mt -123.21 156.71 62.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.49 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.81 -24.14 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.25 -54.14 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -50.15 -44.09 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.6 -41.94 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -56.43 -48.67 76.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -53.29 -65.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CZ2' ' HE3' ' A' ' 54' ' ' MET . 81.5 t90 -36.76 -58.67 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 16.9 m-85 -46.47 -48.95 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.05 -37.05 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -50.28 41.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.559 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 43.8 tpp -59.64 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -53.39 -28.62 30.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.82 -25.69 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.03 17.33 32.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -80.71 -45.75 16.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.93 88.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 m -39.96 116.72 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.69 40.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.11 154.67 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -151.73 142.9 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -89.91 158.12 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -164.45 113.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.43 53.23 39.57 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m -105.54 99.53 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.785 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -158.53 159.25 35.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.12 -96.52 0.16 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -101.49 158.66 31.36 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.515 0.674 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.89 150.31 67.26 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -175.38 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' CD2' ' OD1' ' A' ' 13' ' ' ASN . 11.9 tp -42.46 133.69 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -88.23 -50.23 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.474 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -45.17 -37.26 4.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.786 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -46.64 -39.32 11.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.17 -33.82 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -58.14 -42.97 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.97 -52.41 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -40.37 -44.97 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' ALA . 44.8 mttp -38.33 -46.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -34.19 -56.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -66.61 -45.97 77.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 51.6 t80 -47.37 -33.36 5.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.04 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.25 -48.52 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 24.8 t-20 -105.85 92.23 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.86 -47.91 83.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.24 79.01 73.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.977 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.6 Cg_endo -69.71 149.45 67.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -84.35 163.4 19.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -44.41 -62.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 35.6 mm-40 -34.62 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.4 mm-40 -83.42 -55.8 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' CE2' ' A' ' 51' ' ' PHE . 10.1 mt -36.35 -52.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -50.71 -47.12 59.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -60.84 -57.23 13.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -51.27 -36.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -63.09 -56.13 19.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.42 -26.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.6 t -76.9 -47.44 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.22 20.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 46.49 43.9 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 35.3 mt -134.03 157.27 78.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.78 175.9 7.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CD1' ' CB ' ' A' ' 33' ' ' LEU . 12.9 tp -77.97 -27.92 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.23 -56.3 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 36.8 t -47.44 -44.61 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 33' ' ' LEU . 92.3 t -67.51 -41.52 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -56.32 -51.37 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.3 mptp? -51.12 -65.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.555 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 80.0 t90 -36.84 -58.63 0.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' HD23 ' A' ' 33' ' ' LEU . 18.9 m-85 -47.85 -51.79 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.48 -32.42 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -73.23 -47.27 44.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.555 ' HE2' ' CH2' ' A' ' 50' ' ' TRP . 12.6 tpp -64.57 -52.59 56.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.68 -28.48 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -27.78 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.15 -18.08 16.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -39.79 -42.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.41 HD12 ' NE1' ' A' ' 50' ' ' TRP . 79.5 mt -89.47 111.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 t -40.35 154.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.0 t -124.89 140.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -135.86 124.54 23.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -70.9 137.91 49.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -148.91 146.93 28.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -114.58 135.99 53.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 113.42 0.34 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -95.84 -49.66 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.388 . . . . 0.0 110.893 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -89.86 143.88 26.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 129.38 9.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -153.8 151.67 25.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 153.28 69.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.744 2.296 . . . . 0.0 112.283 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 177.72 5.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.93 161.54 23.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.79 -24.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -51.08 -34.39 30.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -44.7 -37.14 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -82.55 -34.82 27.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -62.93 -40.07 96.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.61 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' LYS . 40.5 mt -58.01 -51.37 69.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -38.48 -39.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.11 -58.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -57.05 -48.15 79.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.5 t80 -53.82 -20.25 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.77 97.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.64 -41.5 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.27 109.61 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.36 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.09 80.83 68.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 148.75 65.77 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.776 2.318 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 p -83.5 -176.21 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.9 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.91 -31.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 35' ' ' LYS . 17.4 mm-40 -92.02 -54.88 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.3 mt -35.71 -46.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mmpt? -57.3 -57.49 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.2 mp -51.5 -43.29 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . . . -62.7 -42.07 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -27.59 55.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -82.14 -44.02 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 37' ' ' ALA . 17.0 m -81.87 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.81 42.56 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 59.0 mt -133.31 155.35 80.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.85 174.17 9.97 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.755 2.303 . . . . 0.0 112.27 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 15.4 tp -77.39 -29.11 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -70.18 -57.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 25.6 t -46.21 -48.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.8 t -68.23 -40.81 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.04 -45.86 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -58.11 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CH2' ' HE1' ' A' ' 54' ' ' MET . 76.6 t90 -40.74 -57.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD2' HD22 ' A' ' 33' ' ' LEU . 15.0 m-85 -47.7 -49.72 27.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.37 -33.07 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -48.14 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.567 ' HE1' ' CH2' ' A' ' 50' ' ' TRP . 4.1 tpp -61.98 -54.15 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -54.9 -29.57 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.49 13.76 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.32 37.76 60.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -99.82 -48.83 4.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.36 131.31 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.3 m -95.29 106.04 18.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -81.95 171.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -48.55 -42.82 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.5 p -89.91 146.79 24.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -118.12 -49.88 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -51.41 138.57 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.94 173.01 42.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m 49.47 40.74 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -88.47 148.31 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.52 -38.85 1.8 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 24.9 tt0 -67.32 143.07 97.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.935 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 54.6 Cg_endo -69.73 157.09 61.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 174.36 9.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.18 139.82 48.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -61.97 -51.68 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.85 -45.58 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' LEU . 3.1 tt -46.35 -51.4 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt -45.12 -32.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.4 t -75.71 -34.39 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.3 mt -57.13 -21.85 35.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.48 -44.01 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -43.18 -38.23 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.57 -40.01 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -76.11 -56.25 4.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 26' ' ' ALA . 15.4 t80 -39.95 -32.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.51 8.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.0 pp -86.24 -37.17 18.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 49.0 t-20 -126.12 87.24 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' CE1' ' A' ' 22' ' ' TYR . . . -52.87 -69.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.46 81.04 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 54.9 Cg_endo -69.72 151.19 69.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -74.54 178.46 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -59.2 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -42.49 -38.75 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -81.02 -39.71 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.28 -58.12 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -48.13 -43.2 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.777 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -65.13 -58.71 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.8 mt -48.12 -35.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -61.79 -49.42 76.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.2 -25.32 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -74.89 -41.39 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -91.13 11.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 58.82 27.62 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 37.2 mt -118.47 156.2 51.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.657 0.741 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 176.93 6.07 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.43 -23.48 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 -52.03 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.8 t -49.97 -47.49 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.11 -43.62 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -53.61 -50.69 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CD1' HD13 ' A' ' 59' ' ' ILE . 73.6 t90 -38.22 -61.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -44.31 -41.43 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -73.35 -40.73 64.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.95 -55.27 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -58.49 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -55.54 -34.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.93 -27.3 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.5 35.49 3.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -97.56 -49.58 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 50' ' ' TRP . 30.6 mm -48.08 -41.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -72.31 145.59 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.12 -15.17 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.28 153.66 31.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 t -141.75 152.01 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -122.91 134.14 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -54.73 164.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.43 -60.09 1.08 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.409 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t 56.35 45.07 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -116.31 133.43 56.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.34 135.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 17.4 tt0 -89.64 143.13 29.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.68 149.61 67.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 2.298 . . . . 0.0 112.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 179.8 3.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.432 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.33 135.41 39.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 13' ' ' ASN . 12.4 pttp -60.6 -50.16 74.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' LYS . 3.3 m-80 -35.49 -41.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tp -44.87 -55.24 5.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 16' ' ' SER . 4.0 pp -87.15 -44.89 11.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.46 ' N ' HD11 ' A' ' 15' ' ' LEU . 5.0 m -48.82 -55.91 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -47.7 -37.78 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ALA . 14.8 mt -74.04 -54.73 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -37.62 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -59.27 -53.9 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.455 ' CD2' HG22 ' A' ' 36' ' ' ILE . 89.2 m-85 -63.95 -53.33 51.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 22.7 t80 -52.16 -34.34 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.78 -53.14 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.24 -39.21 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 23.8 t-20 -96.16 99.69 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.17 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -131.89 80.1 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.473 0.654 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 53.5 Cg_endo -69.81 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.615 2.21 . . . . 0.0 112.4 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -97.03 -175.12 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -42.12 -42.14 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.88 -39.58 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 21.6 mt -59.55 -54.99 40.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -49.5 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' ASP . 21.5 tttp -60.58 -62.06 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 21' ' ' TYR . 29.6 mt -42.74 -34.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -73.76 -37.39 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' LYS . 5.9 m-20 -63.48 -11.16 21.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -93.42 -35.94 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 m -93.03 9.02 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.99 30.85 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 70.4 mt -123.18 155.41 64.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.532 0.682 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' CG ' HG21 ' A' ' 46' ' ' VAL . 53.8 Cg_endo -69.69 -177.27 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 14.0 tp -83.17 -25.15 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 46' ' ' VAL . 1.0 OUTLIER -76.35 -53.0 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG21 ' CG ' ' A' ' 43' ' ' PRO . 54.7 t -56.73 -40.35 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.2 t -71.07 -37.76 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -57.57 -43.65 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.1 mptm? -55.14 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 57.6 t90 -36.62 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -58.1 -57.79 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.09 -29.88 46.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.53 -50.14 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.562 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 50.5 tpp -61.99 -55.57 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.57 -30.75 32.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.47 -26.08 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.45 17.37 22.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -77.95 -49.86 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 HD12 ' CD1' ' A' ' 50' ' ' TRP . 59.4 mt -60.52 -55.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.5 t -159.48 148.03 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.811 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.91 -27.03 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -112.02 120.63 42.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -130.9 -54.81 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.878 -179.779 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -98.46 115.61 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.951 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -110.86 130.15 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.0 120.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t 41.01 43.14 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -100.6 104.9 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.09 -132.89 7.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 tt0 -66.57 143.06 97.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 54.4 Cg_endo -69.69 166.97 25.7 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 170.65 16.11 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 mt -47.82 154.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.69 -28.6 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -53.68 -37.82 63.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.12 -28.99 63.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 50' ' ' TRP . 42.6 mt -74.2 -42.14 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -59.92 -46.41 89.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -47.57 -55.62 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.38 -43.08 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 ttmp? -39.32 -42.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -36.44 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.478 ' CD2' HG21 ' A' ' 36' ' ' ILE . 97.2 m-85 -55.64 -58.3 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 14.2 t80 -36.16 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.69 -61.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.1 pp -79.93 -39.34 30.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 58.3 t-20 -126.51 88.12 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 22' ' ' TYR . . . -52.55 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.4 pt20 -107.41 81.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.72 165.58 30.43 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -91.56 -176.82 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.66 5.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -42.92 -40.25 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -78.07 -40.17 39.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.71 -62.63 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.6 t -45.99 -44.84 15.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.88 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 21' ' ' TYR . 20.1 mt -48.88 -35.36 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -61.42 -59.45 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.05 -33.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 m -70.82 -46.72 62.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 m -85.06 14.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 50.92 42.34 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 35.7 mt -133.3 157.01 79.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.63 174.7 9.02 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.419 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 tp -79.35 -25.25 42.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -47.09 37.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 28.1 t -58.17 -40.61 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.89 -41.09 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -58.78 -54.27 49.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -50.65 -60.11 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.423 ' CD1' HD22 ' A' ' 15' ' ' LEU . 75.2 t90 -39.54 -58.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -45.25 -46.74 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.99 -46.5 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.44 -49.11 75.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.39 -42.14 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.03 -29.92 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.88 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.34 47.23 89.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -112.24 -44.93 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.73 -58.48 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.2 t -146.3 162.39 38.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -148.67 141.17 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -123.29 -51.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -131.29 177.13 7.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.817 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 60.54 40.43 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 m -71.89 111.18 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.07 39.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -153.27 127.96 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -54.99 170.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.95 -88.37 0.49 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.47 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 17.7 tt0 -95.25 143.04 25.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.3 Cg_endo -69.71 148.65 65.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.79 171.34 14.67 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.714 2.276 . . . . 0.0 112.271 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 tp -56.39 133.98 53.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 17.1 ptmt -46.1 -40.41 10.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 m120 -43.16 -34.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 1.6 tm? -44.15 -59.79 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.86 -28.0 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -64.25 -25.05 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.24 -45.63 14.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -42.17 54.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -43.53 -39.59 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.81 -59.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.556 ' CD2' HG21 ' A' ' 36' ' ' ILE . 64.1 m-85 -64.63 -54.4 32.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 84.1 t80 -48.31 -23.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -43.26 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.02 -39.35 7.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' OD1' ' CA ' ' A' ' 28' ' ' PRO . 34.1 t-20 -101.45 85.72 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.67 -60.11 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -117.42 80.78 13.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.484 0.659 . . . . 0.0 110.952 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CA ' ' OD1' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.84 167.33 24.85 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 p -98.61 -177.24 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -56.3 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -43.83 -37.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -83.44 -45.04 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.17 -55.45 17.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.9 t -45.26 -55.4 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -55.89 -61.23 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.556 HG21 ' CD2' ' A' ' 21' ' ' TYR . 69.8 mt -39.8 -36.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -68.93 -45.44 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.55 -19.37 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -83.55 -48.61 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -84.62 19.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.62 36.93 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 29.4 mt -124.68 157.66 64.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -178.98 2.61 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.605 2.204 . . . . 0.0 112.401 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.02 -25.41 29.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.1 -54.66 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 t -50.47 -42.92 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.64 -43.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -53.4 -49.05 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' TRP . 5.6 mptt -54.13 -65.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.554 ' CH2' ' HE3' ' A' ' 54' ' ' MET . 80.1 t90 -36.23 -58.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -49.51 -52.97 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.16 -28.44 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.04 30.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.554 ' HE3' ' CH2' ' A' ' 50' ' ' TRP . 3.1 tpp -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.99 -29.92 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 -27.27 51.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.27 22.19 12.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -87.26 -44.27 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 50' ' ' TRP . 74.6 mt -71.79 -55.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLN . 59.5 p -83.18 114.81 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -37.5 -32.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' SER . 78.8 mt-30 -84.97 129.62 34.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 t -115.16 150.61 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.787 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -95.01 -50.4 5.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.384 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -105.8 170.45 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.35 -42.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -103.03 -59.46 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -40.62 115.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.9 -175.51 34.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.62 149.5 92.32 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.541 0.686 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 149.09 66.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.401 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -172.22 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.379 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.16 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -81.43 -61.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -43.42 -34.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 1.6 tm? -45.54 -51.91 11.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.12 -50.82 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 m -43.33 -39.1 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.89 -43.62 66.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.424 HD12 ' CG ' ' A' ' 50' ' ' TRP . 16.2 mt -67.42 -46.93 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.22 -32.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.19 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.558 ' CE2' HG23 ' A' ' 36' ' ' ILE . 11.3 m-85 -71.43 -55.78 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 34.4 t80 -35.95 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -58.55 -57.35 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -79.43 -33.32 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' HD11 ' A' ' 24' ' ' LEU . 2.4 m120 -135.01 93.2 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.564 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.24 -50.46 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 79.58 64.67 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 p -94.19 -176.55 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.85 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.38 -38.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.95 -45.59 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD23 ' CE2' ' A' ' 51' ' ' PHE . 13.5 mt -47.84 -53.81 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -48.25 -50.34 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -60.66 -55.74 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 21' ' ' TYR . 84.9 mt -45.87 -33.46 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -75.12 -46.23 35.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -51.1 -19.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -85.32 -45.27 12.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 m -86.81 18.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 49.94 36.27 11.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 38.3 mt -125.18 157.02 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.616 0.722 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.54 3.62 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.672 2.248 . . . . 0.0 112.42 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 7.7 tp -82.75 -27.14 31.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.38 -52.48 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -53.98 -41.9 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' CB ' ' A' ' 37' ' ' ALA . 79.1 t -69.18 -37.9 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -62.09 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.439 ' CH2' ' HE1' ' A' ' 54' ' ' MET . 68.3 t90 -38.62 -52.18 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CE2' HD23 ' A' ' 33' ' ' LEU . 12.8 m-85 -54.56 -57.98 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.74 -33.23 60.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.7 -43.24 63.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.439 ' HE1' ' CH2' ' A' ' 50' ' ' TRP . 21.2 tpp -66.83 -50.76 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -55.34 -26.79 43.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.75 -22.39 27.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.26 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -94.79 -46.97 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 50' ' ' TRP . 26.6 mm -52.06 105.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.5 p -156.99 172.96 17.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 62' ' ' GLN . 11.8 p -161.49 148.45 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 61' ' ' VAL . 4.5 tp-100 -51.18 163.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.0 p -80.02 -47.22 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 -179.787 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -136.03 173.82 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -50.86 -58.48 5.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.47 92.78 0.53 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.591 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -51.43 123.61 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -51.4 159.4 0.71 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.81 -105.85 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.409 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 18.2 tt0 -47.63 143.14 6.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.3 Cg_endo -69.87 166.74 26.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.758 2.305 . . . . 0.0 112.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.41 129.37 39.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.63 -34.04 71.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -78.54 -34.81 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 15' ' ' LEU . 4.8 tt -49.18 -44.81 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 14' ' ' LEU . 36.7 mt -79.56 -43.01 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -45.5 -41.87 10.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.96 -53.17 59.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -42.82 -40.54 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 22.2 tttt -45.84 -41.71 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -35.64 -48.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.552 ' CE2' HG21 ' A' ' 36' ' ' ILE . 96.8 m-85 -68.36 -52.53 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' CG ' ' HA ' ' A' ' 26' ' ' ALA . 9.5 t80 -38.56 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -53.8 -51.88 62.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 4.2 pp -87.6 -39.61 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -129.68 94.09 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HA ' ' CG ' ' A' ' 22' ' ' TYR . . . -54.56 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.28 80.74 2.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HA ' ' ND2' ' A' ' 25' ' ' ASN . 54.1 Cg_endo -69.78 134.89 29.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.581 2.187 . . . . 0.0 112.382 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -61.09 -175.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.25 -58.57 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -41.89 -37.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -83.21 -51.23 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 10.3 mt -42.9 -60.58 1.55 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -39.44 -43.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -59.9 -62.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.552 HG21 ' CE2' ' A' ' 21' ' ' TYR . 5.1 mp -46.08 -42.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -55.66 -59.86 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.61 -28.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -76.38 -48.58 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -85.08 19.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 45.94 37.8 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 29.8 mt -127.46 157.86 71.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.584 0.707 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -179.05 2.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.8 tp -85.71 -24.24 27.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.23 -46.61 40.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.91 -42.78 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.13 -32.77 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -65.51 -55.42 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -47.72 -61.83 1.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CH2' ' SD ' ' A' ' 54' ' ' MET . 79.4 t90 -37.89 -62.01 0.59 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 10.1 m-85 -42.9 -46.16 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.64 -36.35 80.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.0 -57.03 13.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' CH2' ' A' ' 50' ' ' TRP . 18.4 ttp -63.01 -42.24 99.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 56.3 mt-30 -59.08 -24.82 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.55 -26.52 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.03 25.03 7.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.95 -46.42 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 81.1 mt -72.75 103.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -104.62 143.28 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.37 -32.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -86.15 -53.14 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -73.0 126.25 29.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -118.95 108.82 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.97 0.414 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -125.09 122.65 37.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.38 162.24 18.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -93.3 110.0 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -71.24 127.07 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.29 -61.95 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.79 149.05 0.42 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.705 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 161.82 44.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.222 . . . . 0.0 112.362 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.88 152.01 68.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.6 2.2 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' N ' ' A' ' 12' ' ' LYS . 1.3 tt -124.26 166.95 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' CG ' ' N ' ' A' ' 13' ' ' ASN . 9.8 ptmt -42.37 -49.23 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -60.55 -36.21 77.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.68 -51.96 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.58 -26.51 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 -43.16 93.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.4 -46.77 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.85 -45.01 79.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -38.35 -44.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.12 -61.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 36' ' ' ILE . 88.9 m-85 -64.35 -54.78 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.468 ' CE2' ' HE2' ' A' ' 54' ' ' MET . 80.0 t80 -36.05 -40.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -62.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 3.3 pp -71.51 -35.79 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -129.46 87.44 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -56.07 -42.31 76.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 10.6 pt20 -122.5 80.91 46.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.486 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.73 150.11 67.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 p -78.53 -179.44 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.79 -62.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -40.58 -39.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -76.69 -45.19 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 51' ' ' PHE . 8.8 mt -49.95 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -41.04 -49.9 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 21' ' ' TYR . 19.4 mt -44.57 -45.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -45.79 -41.8 11.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -54.86 -41.03 70.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.4 p -61.32 -50.92 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -81.62 15.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 47.0 35.65 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 34.8 mt -122.87 157.49 59.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.623 0.725 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' CG ' HG23 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 178.38 4.65 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 13.5 tp -80.2 -23.98 40.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.59 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' CG ' ' A' ' 43' ' ' PRO . 42.4 t -50.02 -39.61 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.64 -41.58 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -57.59 -52.41 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.29 -66.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 80.0 t90 -38.39 -59.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 7.7 m-85 -44.29 -48.66 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.15 -33.21 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -64.5 -55.09 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.571 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.3 ttp -58.85 -53.26 60.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.91 -35.93 62.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.67 -30.09 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.89 36.37 2.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.24 -44.31 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.31 109.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.0 t -119.66 162.17 19.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -102.3 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' CD ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -93.5 41.1 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -77.74 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -142.56 168.23 20.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -67.75 106.01 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 166.84 13.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -68.35 88.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -77.54 92.2 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.43 -109.39 2.29 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.66 147.78 56.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 167.33 24.8 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.614 2.21 . . . . 0.0 112.368 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 170.79 15.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.83 169.26 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -83.59 -44.75 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -54.78 -43.9 73.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -37.42 -49.61 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD23 ' CD1' ' A' ' 50' ' ' TRP . 27.0 mt -63.39 -49.27 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -46.04 -43.71 14.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.9 -48.74 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.48 -51.09 61.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -38.99 -40.44 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.33 -46.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' CD2' HG21 ' A' ' 36' ' ' ILE . 74.8 m-85 -76.98 -35.65 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 64.4 t80 -59.1 -43.8 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.02 -62.74 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -74.21 -46.65 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 24' ' ' LEU . 40.2 t-20 -122.84 92.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -54.79 -61.76 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.81 80.81 4.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.13 32.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -82.52 168.86 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -50.55 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . 23.1 mt-10 -35.77 -39.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.44 -41.68 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD21 ' CE2' ' A' ' 51' ' ' PHE . 19.1 mt -59.29 -64.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.0 t -44.51 -45.93 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -57.82 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 HG21 ' CD2' ' A' ' 21' ' ' TYR . 42.6 mt -48.46 -35.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -66.46 -47.05 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.9 -17.66 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.8 m -86.54 -41.68 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -90.68 15.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 54.43 34.65 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 28.6 mt -123.5 155.03 66.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.47 4.54 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.732 2.288 . . . . 0.0 112.318 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -81.35 -27.74 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -54.62 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 t -49.3 -52.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.68 -41.46 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -59.93 -47.95 83.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 mptp? -55.88 -64.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.588 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 84.2 t90 -38.14 -55.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.521 ' CE2' HD21 ' A' ' 33' ' ' LEU . 9.5 m-85 -45.94 -38.96 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' LYS . 15.2 mm-40 -75.54 -24.66 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' CB ' HG12 ' A' ' 59' ' ' ILE . 28.3 mmtt -72.54 -56.97 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.588 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.6 ttp -58.45 -41.9 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.48 -29.48 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.0 -27.34 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.55 -15.12 19.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.9 -46.81 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.299 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.429 HG12 ' CB ' ' A' ' 53' ' ' LYS . 5.6 mm -73.23 101.97 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -44.46 168.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.6 t -110.69 119.2 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.22 138.98 31.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -165.0 139.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -45.5 148.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -140.34 140.9 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.82 -163.29 12.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -78.03 103.52 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -152.95 146.41 24.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.17 56.53 2.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 146.95 33.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.71 65.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.613 2.209 . . . . 0.0 112.365 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -179.25 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.4 145.44 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -48.85 -44.12 39.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -44.61 -25.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -48.71 -49.79 36.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.01 -20.76 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -81.4 -36.47 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -63.98 -43.21 96.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.15 -36.06 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' NZ ' HG13 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -48.09 -33.4 8.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.843 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.25 22.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' CE1' HG22 ' A' ' 36' ' ' ILE . 61.2 m-85 -71.8 -58.39 3.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 1.2 t80 -35.99 -42.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.48 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 25' ' ' ASN . 3.1 pp -66.82 -39.65 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -121.07 91.25 3.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.55 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 26' ' ' ALA . 1.9 pm0 -131.73 84.56 54.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.449 0.642 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.82 146.26 59.3 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 164.42 20.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.16 -64.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' ALA . 46.8 mt-10 -34.83 -36.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.0 mt-10 -88.28 -54.8 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD22 ' CE2' ' A' ' 51' ' ' PHE . 13.8 mt -36.48 -62.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -39.99 -56.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 8.4 mptt -56.51 -48.68 76.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG22 ' CE1' ' A' ' 21' ' ' TYR . 62.2 mt -57.16 -29.11 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -75.13 -52.82 10.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.68 -24.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 t -72.92 -48.86 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -85.68 14.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 57.81 32.9 22.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 26.5 mt -121.84 155.57 60.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 174.68 9.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.0 tp -78.33 -22.8 47.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -46.74 24.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 20.2 t -55.65 -46.28 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 -37.99 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -58.67 -43.01 89.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.27 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -38.78 -49.86 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CE2' HD22 ' A' ' 33' ' ' LEU . 9.5 m-85 -53.91 -58.1 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.21 -28.89 56.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.51 -42.88 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.53 ' HE2' ' CD2' ' A' ' 22' ' ' TYR . 2.5 tmm? -71.88 -37.6 70.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.63 -26.67 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.65 -31.21 28.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.63 20.78 8.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -85.66 -40.47 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.449 HD13 ' N ' ' A' ' 54' ' ' MET . 63.6 mt -76.25 104.49 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -60.86 140.41 57.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG13 ' NZ ' ' A' ' 19' ' ' LYS . 86.6 t -107.58 106.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 55.39 42.21 30.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -40.34 127.79 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.776 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -61.42 93.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t -70.01 134.19 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.94 119.37 0.72 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -140.89 119.14 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -112.68 118.72 35.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.67 -120.77 6.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.587 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -136.68 144.03 45.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.21 39.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -177.73 2.0 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.752 2.301 . . . . 0.0 112.39 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 13' ' ' ASN . 6.1 tp -59.97 108.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -14.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 2.7 m-80 -61.56 -22.06 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.4 -12.69 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -45.55 -64.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -44.66 -53.3 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.66 -45.04 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.76 -46.9 83.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -45.39 -31.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.89 -63.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.008 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 36' ' ' ILE . 98.4 m-85 -56.03 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' TYR . 30.4 t80 -35.87 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -60.63 -56.44 21.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 25' ' ' ASN . 3.9 pp -76.94 -39.94 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -110.69 104.22 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -131.01 81.17 67.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.69 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.418 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.76 159.32 53.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 p -89.6 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -57.35 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -39.07 -36.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -85.95 -54.15 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.545 HD23 ' CE2' ' A' ' 51' ' ' PHE . 15.8 mt -37.89 -45.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.9 t -54.59 -53.26 56.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -53.59 -58.4 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 21' ' ' TYR . 4.1 mp -47.94 -34.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 42' ' ' LEU . . . -71.3 -41.89 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.55 -20.71 57.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -81.35 -40.2 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 m -92.44 14.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.86 28.53 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 mt -116.37 156.1 47.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.694 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.72 174.42 9.51 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.66 -23.24 49.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.48 -53.17 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 33.2 t -48.99 -53.22 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -59.42 -42.26 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -53.07 -54.71 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -47.63 -62.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 76.4 t90 -37.25 -57.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' HD23 ' A' ' 33' ' ' LEU . 29.8 m-85 -52.57 -50.89 62.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.72 -35.27 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -72.6 -54.77 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.569 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 51.0 tpp -57.88 -54.3 48.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.72 -29.28 59.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.61 -28.18 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.04 21.58 9.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.18 -49.78 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.27 95.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -57.7 148.59 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -174.36 143.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -113.94 143.73 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -71.01 140.12 50.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 -179.853 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 p -100.24 90.48 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.802 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -78.93 85.71 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.52 -67.38 3.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 142.14 51.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 47.57 42.3 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.52 88.16 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.12 145.99 66.35 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 121.609 0.719 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.37 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.727 2.285 . . . . 0.0 112.293 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 171.85 13.58 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.06 -179.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.0 pttt -92.24 -40.66 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 12' ' ' LYS . 37.3 m-20 -34.68 -39.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.89 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -66.42 -57.12 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LEU . 75.2 m -34.48 -39.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.69 -58.34 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.17 -43.34 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -40.18 -40.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.89 9.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 36' ' ' ILE . 83.2 m-85 -72.66 -59.66 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE2' ' SD ' ' A' ' 54' ' ' MET . 49.0 t80 -38.35 -35.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.84 -58.35 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.43 -41.79 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 94.19 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -60.21 -57.04 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.14 80.96 2.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 160.47 49.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.573 2.182 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -83.01 -176.55 6.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.0 -60.67 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -39.01 -37.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.11 -54.05 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -37.23 -62.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -42.89 -56.92 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -55.15 -55.6 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' CE1' ' A' ' 21' ' ' TYR . 78.9 mt -49.0 -31.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.07 -29.37 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.25 -20.9 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -78.77 -48.11 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m -84.43 15.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 m120 53.69 30.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.5 mt -116.46 155.44 48.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.86 174.83 9.02 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -76.2 -26.81 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -56.85 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 41.2 t -46.77 -47.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.76 -40.04 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -59.43 -53.5 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -51.71 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CZ2' ' HE2' ' A' ' 54' ' ' MET . 78.3 t90 -38.23 -57.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -48.76 -52.05 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -63.02 -25.18 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.52 -40.76 41.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 22' ' ' TYR . 1.4 ttm -71.86 -46.34 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.09 -27.35 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.13 39.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.73 26.16 5.95 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -94.28 -44.03 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.3 mm -64.97 123.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.2 p -105.33 163.79 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.71 -32.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -133.0 40.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.3 t -41.88 144.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.827 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.842 0.353 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -43.14 -47.64 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' A' ' 40' ' ' VAL . 23.3 mt -49.15 -42.86 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 26.3 mt -70.45 -54.41 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.2 mptp? -36.24 -35.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -49.97 -59.36 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 36' ' ' ILE . 98.6 m-85 -62.38 -63.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.7 t80 -39.57 -28.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -49.78 -47.56 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.27 -38.91 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 21.1 t-20 -95.52 90.58 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.99 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -131.2 80.82 67.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 54.6 Cg_endo -69.77 137.6 35.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -72.78 -178.67 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -41.02 -40.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.98 -44.47 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.1 mt -53.45 -60.46 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -46.21 -41.21 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -67.0 -60.88 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 21' ' ' TYR . 70.5 mt -45.77 -32.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -64.33 -57.01 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.84 -21.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -46.55 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -86.92 15.19 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 53.4 32.6 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.928 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 50.5 mt -122.89 156.63 61.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.2 tp -85.3 -21.6 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.03 -48.72 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.77 -35.54 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.17 -39.35 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' A' ' 44' ' ' LEU . 55.5 mttt -57.22 -47.91 80.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -62.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.48 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 68.5 t90 -40.24 -52.16 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.481 ' CD2' HD21 ' A' ' 33' ' ' LEU . 23.2 m-85 -56.99 -54.61 44.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.82 -31.99 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -43.74 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.582 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 2.3 tpp -66.58 -54.74 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.04 -31.87 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.48 -28.95 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.86 38.2 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.5 -47.84 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -43.19 -43.51 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.18 -56.98 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.56 -40.99 84.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -47.75 -28.19 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -49.92 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.596 ' CE1' HG23 ' A' ' 36' ' ' ILE . 86.5 m-85 -61.51 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' TYR . 16.3 t80 -36.06 -40.9 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.58 -64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.3 pp -74.92 -41.5 59.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.674 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -127.55 90.05 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.12 -69.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -107.37 80.86 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.523 0.677 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.2 Cg_endo -69.69 161.79 44.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.2 m -97.78 163.18 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -36.9 -63.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.6 mm-40 -34.66 -40.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -85.24 -55.91 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD23 HG12 ' A' ' 47' ' ' VAL . 12.4 mt -38.28 -63.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -43.42 -48.86 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -61.61 -56.42 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 21' ' ' TYR . 61.0 mt -48.83 -30.87 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.59 -53.39 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -53.37 -18.6 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -84.7 -42.18 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.4 m -90.89 11.29 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 56.93 36.85 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.974 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.3 mt -127.64 157.48 73.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.524 0.678 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.78 175.05 8.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.93 -24.82 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -43.8 54.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.525 HG23 ' HG2' ' A' ' 43' ' ' PRO . 24.2 t -61.18 -42.75 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 33' ' ' LEU . 94.7 t -70.29 -34.93 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -65.14 -48.42 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -59.37 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' NE1' HD13 ' A' ' 59' ' ' ILE . 76.6 t90 -42.62 -63.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 10.6 m-85 -41.56 -49.05 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.68 -41.53 95.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.59 -58.94 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.3 tmm? -56.36 -46.46 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.71 -31.21 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.4 -31.06 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.58 22.11 7.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -83.46 -45.05 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.874 0.369 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -48.27 -56.56 7.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.66 -44.98 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' LYS . 15.2 mt -68.0 -58.66 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 15' ' ' LEU . 9.9 ttmm -36.29 -40.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.61 -56.71 1.02 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CE1' HG23 ' A' ' 36' ' ' ILE . 87.7 m-85 -56.57 -54.33 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 45.1 t80 -37.5 -40.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.5 pp -88.92 -43.48 11.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.88 ' N ' HD12 ' A' ' 24' ' ' LEU . 46.2 t-20 -115.74 86.68 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -62.07 -58.8 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.58 80.8 1.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.557 0.694 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.72 169.66 18.33 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -98.07 -175.04 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -54.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.34 -30.86 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -88.33 -37.86 15.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 48' ' ' LYS . 9.7 mt -54.35 -64.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -46.24 -44.91 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 1.1 tmmt? -56.68 -62.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' CE1' ' A' ' 21' ' ' TYR . 80.5 mt -47.13 -39.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.75 -54.4 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -48.25 -29.15 3.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.6 m -78.25 -42.68 30.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 42' ' ' LEU . 29.2 m -88.79 18.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 47.47 44.02 16.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.996 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 33.6 mt -133.77 157.2 78.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.67 174.64 9.14 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 48' ' ' LYS . 11.2 tp -78.45 -24.5 46.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -51.83 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.0 t -51.42 -47.98 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.41 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' CG ' HD13 ' A' ' 33' ' ' LEU . 19.1 mtpp -64.81 -52.39 57.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.67 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.446 ' NE1' HD13 ' A' ' 59' ' ' ILE . 70.5 t90 -38.62 -63.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 8.0 m-85 -44.56 -46.89 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -64.0 -41.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.48 -59.69 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.0 tmm? -57.2 -52.25 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.37 -28.26 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 -27.66 30.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.09 24.04 6.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.59 -45.44 8.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.446 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 50' ' ' TRP . 65.8 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -71.35 -37.59 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.64 -39.01 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -40.73 -41.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.52 -51.51 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD2' HG23 ' A' ' 36' ' ' ILE . 22.2 m-85 -68.43 -33.77 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -60.31 -39.14 85.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.81 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.5 pp -68.82 -36.25 77.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -129.72 94.68 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.56 -52.29 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -128.5 80.85 71.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.5 Cg_endo -69.74 154.04 68.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -91.26 164.22 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.86 -62.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . 42.1 mt-10 -36.15 -38.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -84.65 -55.07 4.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 48' ' ' LYS . 12.1 mt -38.24 -59.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -58.06 10.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 21' ' ' TYR . 77.3 mt -47.8 -27.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.959 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -78.05 -57.07 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -43.74 -25.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -74.82 -51.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 42' ' ' LEU . 31.2 m -84.33 19.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 51.02 34.91 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.959 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 25.0 mt -121.5 156.07 58.63 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.8 Cg_endo -69.82 178.22 4.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.285 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.6 tp -81.88 -21.89 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.87 -48.29 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 43' ' ' PRO . 25.7 t -54.22 -42.74 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.12 -40.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 33' ' ' LEU . 48.0 mttt -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -53.55 -65.37 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.413 ' CD1' HD22 ' A' ' 15' ' ' LEU . 79.8 t90 -36.99 -57.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -49.5 -51.97 32.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.24 -32.41 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -74.36 -45.07 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 tpp -66.45 -54.13 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -52.53 -26.89 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.54 -24.77 25.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.02 33.8 5.63 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -98.72 -44.99 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 15.9 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.719 0.295 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 67.0 m -35.59 -48.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -47.35 -58.16 4.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' LYS . 21.9 mt -43.41 -43.91 5.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' LEU . 45.9 tttt -36.96 -42.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.29 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.47 -42.29 87.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 33.5 t80 -55.48 -34.05 64.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.98 -55.1 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -83.39 -51.43 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 25.4 t-20 -87.49 97.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.12 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -127.72 79.91 72.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.81 156.64 62.69 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -95.61 169.8 9.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -52.01 -60.5 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' ALA . 4.8 mm-40 -35.26 -37.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 36' ' ' ILE . 27.5 mt-10 -85.39 -57.11 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 48' ' ' LYS . 12.3 mt -36.99 -53.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -50.55 -52.91 34.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -54.59 -60.13 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -46.86 -33.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.4 -53.85 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -49.61 -20.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -84.7 -43.67 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 42' ' ' LEU . 16.0 m -89.56 20.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 46.91 40.88 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.024 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.1 mt -131.31 155.27 81.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.751 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.72 174.64 9.17 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -77.65 -27.03 50.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.66 -51.54 19.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.4 t -53.04 -46.08 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.57 -38.13 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 33' ' ' LEU . 53.4 mttt -57.79 -53.01 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' TRP . 12.9 mptt -51.06 -60.72 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 70.9 t90 -36.08 -53.24 0.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 13.1 m-85 -56.83 -51.75 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.41 -32.51 64.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -53.48 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -58.29 -49.89 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.11 -28.61 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.76 -27.53 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.79 13.75 31.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.574 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -76.34 -47.89 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.209 179.873 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 15' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.879 0.371 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 p -58.14 -44.6 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.51 -26.14 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.28 -38.95 49.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -48.29 -34.85 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.2 -37.18 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.0 m-85 -84.25 -60.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 42.2 t80 -41.52 -44.79 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . -35.53 -61.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.86 -38.65 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -93.85 90.23 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB3' ' OE1' ' A' ' 27' ' ' GLN . . . -58.79 -50.2 74.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' OE1' ' HB3' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -129.47 80.77 71.39 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.462 0.649 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 53.4 Cg_endo -69.73 146.19 59.62 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -87.68 -175.11 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.47 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.27 -37.24 7.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -82.59 -39.12 22.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.4 mt -61.32 -57.3 12.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 t -47.21 -46.48 24.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -60.48 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 HG23 ' CE2' ' A' ' 21' ' ' TYR . 72.9 mt -42.01 -36.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.11 -40.66 94.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' LYS . 15.5 t70 -61.69 -19.92 62.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 t -83.02 -43.88 15.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -89.04 17.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 50.01 39.1 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.929 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 39.2 mt -128.76 156.47 77.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.83 174.57 9.37 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.626 2.217 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.89 -30.76 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.74 -60.74 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.0 t -43.15 -42.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.73 -39.27 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -57.44 -43.25 83.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -54.93 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 15' ' ' LEU . 75.7 t90 -37.53 -55.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -50.61 -53.25 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.92 -32.48 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -72.46 -48.95 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 38.0 tpp -62.53 -55.98 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.47 -29.86 26.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -29.7 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.77 20.3 10.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -82.65 -44.02 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 50' ' ' TRP . 23.8 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.838 0.351 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -53.35 -51.42 62.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.19 -26.91 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 20' ' ' ALA . 21.4 mt -90.07 -45.2 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -43.25 -24.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 18' ' ' LEU . . . -62.57 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' HA ' HD21 ' A' ' 24' ' ' LEU . 96.4 m-85 -43.42 -40.9 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 21.0 t80 -55.14 -45.42 75.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.64 -58.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.778 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -77.11 -38.34 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 12.3 t-20 -104.0 98.93 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -42.01 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.06 78.07 60.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.71 142.36 47.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.744 2.296 . . . . 0.0 112.341 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -84.64 -175.55 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.58 27.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.166 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -46.33 -33.11 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -87.18 -39.02 15.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD13 ' HG2' ' A' ' 48' ' ' LYS . 16.7 mt -61.11 -55.09 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.41 -42.24 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.58 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.81 -36.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -60.18 -52.79 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.39 -20.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -83.86 -42.24 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -89.63 13.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 54.64 32.96 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.015 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 46.5 mt -123.21 156.71 62.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.49 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.81 -24.14 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.25 -54.14 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -50.15 -44.09 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.6 -41.94 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HG2' HD13 ' A' ' 33' ' ' LEU . 28.7 mtpt -56.43 -48.67 76.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -53.29 -65.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.533 ' CD1' HD22 ' A' ' 15' ' ' LEU . 81.5 t90 -36.76 -58.67 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 16.9 m-85 -46.47 -48.95 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.05 -37.05 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -50.28 41.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.578 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 43.8 tpp -59.64 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -53.39 -28.62 30.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.82 -25.69 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.03 17.33 32.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.71 -45.75 16.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' HE1' ' A' ' 50' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.858 0.361 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -58.14 -42.97 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.97 -52.41 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 15' ' ' LEU . 24.2 mt -40.37 -44.97 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' ALA . 44.8 mttp -38.33 -46.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -34.19 -56.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -66.61 -45.97 77.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 51.6 t80 -47.37 -33.36 5.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.04 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -82.25 -48.52 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 24.8 t-20 -105.85 92.23 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.86 -47.91 83.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.24 79.01 73.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.977 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.6 Cg_endo -69.71 149.45 67.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -84.35 163.4 19.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -44.41 -62.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 35.6 mm-40 -34.62 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.4 mm-40 -83.42 -55.8 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD13 ' CG ' ' A' ' 48' ' ' LYS . 10.1 mt -36.35 -52.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -50.71 -47.12 59.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -60.84 -57.23 13.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.7 mp -51.27 -36.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -63.09 -56.13 19.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.42 -26.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.6 t -76.9 -47.44 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 42' ' ' LEU . 26.9 m -86.22 20.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 46.49 43.9 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.958 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.3 mt -134.03 157.27 78.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.78 175.9 7.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 33' ' ' LEU . 12.9 tp -77.97 -27.92 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.23 -56.3 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 43' ' ' PRO . 36.8 t -47.44 -44.61 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 33' ' ' LEU . 92.3 t -67.51 -41.52 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' CG ' HD13 ' A' ' 33' ' ' LEU . 36.6 mtpt -56.32 -51.37 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.3 mptp? -51.12 -65.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.49 ' HE1' HD13 ' A' ' 15' ' ' LEU . 80.0 t90 -36.84 -58.63 0.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 18.9 m-85 -47.85 -51.79 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.48 -32.42 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -73.23 -47.27 44.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.426 ' HE2' ' CH2' ' A' ' 50' ' ' TRP . 12.6 tpp -64.57 -52.59 56.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.68 -28.48 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -27.78 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.15 -18.08 16.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -39.79 -42.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.437 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -62.93 -40.07 96.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.61 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 40' ' ' VAL . 40.5 mt -58.01 -51.37 69.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -38.48 -39.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.11 -58.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.3 m-85 -57.05 -48.15 79.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.5 t80 -53.82 -20.25 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -61.24 -41.77 97.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -95.64 -41.5 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -100.27 109.61 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.36 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.09 80.83 68.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 148.75 65.77 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.776 2.318 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 p -83.5 -176.21 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.9 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.91 -31.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 36' ' ' ILE . 17.4 mm-40 -92.02 -54.88 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.3 mt -35.71 -46.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mmpt? -57.3 -57.49 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.2 mp -51.5 -43.29 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -62.7 -42.07 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -27.59 55.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -82.14 -44.02 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.688 HG21 HD21 ' A' ' 18' ' ' LEU . 17.0 m -81.87 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.81 42.56 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.906 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 59.0 mt -133.31 155.35 80.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.85 174.17 9.97 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.755 2.303 . . . . 0.0 112.27 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 15.4 tp -77.39 -29.11 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -70.18 -57.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 25.6 t -46.21 -48.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 37' ' ' ALA . 96.8 t -68.23 -40.81 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.04 -45.86 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -58.11 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 19' ' ' LYS . 76.6 t90 -40.74 -57.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -47.7 -49.72 27.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.37 -33.07 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -48.14 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 4.1 tpp -61.98 -54.15 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -54.9 -29.57 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.49 13.76 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.32 37.76 60.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -99.82 -48.83 4.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.4 t -75.71 -34.39 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.13 -21.85 35.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.48 -44.01 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -43.18 -38.23 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.57 -40.01 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 45.0 m-85 -76.11 -56.25 4.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 15.4 t80 -39.95 -32.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.51 8.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.0 pp -86.24 -37.17 18.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' LEU . 49.0 t-20 -126.12 87.24 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -52.87 -69.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.46 81.04 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 54.9 Cg_endo -69.72 151.19 69.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -74.54 178.46 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -59.2 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -42.49 -38.75 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -81.02 -39.71 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.28 -58.12 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -48.13 -43.2 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.777 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -65.13 -58.71 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 19.8 mt -48.12 -35.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.79 -49.42 76.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.2 -25.32 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -74.89 -41.39 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.1 m -91.13 11.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 58.82 27.62 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.2 mt -118.47 156.2 51.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.657 0.741 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.7 176.93 6.07 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.43 -23.48 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 -52.03 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 42' ' ' LEU . 20.8 t -49.97 -47.49 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.11 -43.62 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -53.61 -50.69 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -38.22 -61.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -44.31 -41.43 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -73.35 -40.73 64.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.95 -55.27 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -58.49 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -55.54 -34.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.93 -27.3 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.5 35.49 3.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -97.56 -49.58 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.6 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 16' ' ' SER . 4.0 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.679 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.0 m -48.82 -55.91 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -47.7 -37.78 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ALA . 14.8 mt -74.04 -54.73 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -37.62 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -59.27 -53.9 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD2' HG23 ' A' ' 36' ' ' ILE . 89.2 m-85 -63.95 -53.33 51.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 22.7 t80 -52.16 -34.34 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.78 -53.14 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.24 -39.21 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 23.8 t-20 -96.16 99.69 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.17 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -131.89 80.1 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.473 0.654 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 53.5 Cg_endo -69.81 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.615 2.21 . . . . 0.0 112.4 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -97.03 -175.12 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -42.12 -42.14 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.88 -39.58 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 21.6 mt -59.55 -54.99 40.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -49.5 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' ASP . 21.5 tttp -60.58 -62.06 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 21' ' ' TYR . 29.6 mt -42.74 -34.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.913 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -73.76 -37.39 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 5.9 m-20 -63.48 -11.16 21.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -93.42 -35.94 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 42' ' ' LEU . 9.7 m -93.03 9.02 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.99 30.85 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.913 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 70.4 mt -123.18 155.41 64.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.532 0.682 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.27 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' A' ' 48' ' ' LYS . 14.0 tp -83.17 -25.15 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -76.35 -53.0 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 45' ' ' ASP . 54.7 t -56.73 -40.35 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 37' ' ' ALA . 48.2 t -71.07 -37.76 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' A' ' 44' ' ' LEU . 37.3 mttt -57.57 -43.65 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.1 mptm? -55.14 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 t90 -36.62 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 12.8 m-85 -58.1 -57.79 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.09 -29.88 46.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.53 -50.14 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.718 ' HB2' HD12 ' A' ' 59' ' ' ILE . 50.5 tpp -61.99 -55.57 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.57 -30.75 32.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.47 -26.08 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.45 17.37 22.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -77.95 -49.86 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 54' ' ' MET . 59.4 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HD1' ' A' ' 50' ' ' TRP . 42.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -59.92 -46.41 89.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -47.57 -55.62 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.38 -43.08 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 ttmp? -39.32 -42.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -36.44 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.743 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 97.2 m-85 -55.64 -58.3 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' ' 26' ' ' ALA . 14.2 t80 -36.16 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.69 -61.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.1 pp -79.93 -39.34 30.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.699 ' HB2' HD12 ' A' ' 24' ' ' LEU . 58.3 t-20 -126.51 88.12 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HA ' ' CG ' ' A' ' 22' ' ' TYR . . . -52.55 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 27' ' ' GLN . 5.4 pt20 -107.41 81.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.72 165.58 30.43 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -91.56 -176.82 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.66 5.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -42.92 -40.25 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -78.07 -40.17 39.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 15.8 mt -57.71 -62.63 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.6 t -45.99 -44.84 15.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.88 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.743 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 20.1 mt -48.88 -35.36 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.42 -59.45 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.05 -33.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 m -70.82 -46.72 62.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 42' ' ' LEU . 20.1 m -85.06 14.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 50.92 42.34 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.7 mt -133.3 157.01 79.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.63 174.7 9.02 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.419 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.7 tp -79.35 -25.25 42.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -47.09 37.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 43' ' ' PRO . 28.1 t -58.17 -40.61 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.89 -41.09 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -58.78 -54.27 49.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -50.65 -60.11 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.82 ' HD1' HD22 ' A' ' 15' ' ' LEU . 75.2 t90 -39.54 -58.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -45.25 -46.74 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.99 -46.5 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.44 -49.11 75.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.39 -42.14 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.03 -29.92 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.88 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.34 47.23 89.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -112.24 -44.93 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -64.25 -25.05 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.24 -45.63 14.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -42.17 54.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -43.53 -39.59 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -40.81 -59.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CD2' HG23 ' A' ' 36' ' ' ILE . 64.1 m-85 -64.63 -54.4 32.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 84.1 t80 -48.31 -23.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -55.25 -43.26 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -102.02 -39.35 7.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' OD1' ' CA ' ' A' ' 28' ' ' PRO . 34.1 t-20 -101.45 85.72 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.67 -60.11 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -117.42 80.78 13.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.484 0.659 . . . . 0.0 110.952 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CA ' ' OD1' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.84 167.33 24.85 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 p -98.61 -177.24 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -56.3 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -43.83 -37.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -83.44 -45.04 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.17 -55.45 17.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.9 t -45.26 -55.4 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -55.89 -61.23 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 21' ' ' TYR . 69.8 mt -39.8 -36.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.919 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.93 -45.44 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.55 -19.37 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -83.55 -48.61 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -84.62 19.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.62 36.93 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.919 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.4 mt -124.68 157.66 64.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -178.98 2.61 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.605 2.204 . . . . 0.0 112.401 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.02 -25.41 29.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.1 -54.66 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 t -50.47 -42.92 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.64 -43.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -53.4 -49.05 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' TRP . 5.6 mptt -54.13 -65.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.432 ' NE1' HD13 ' A' ' 59' ' ' ILE . 80.1 t90 -36.23 -58.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -49.51 -52.97 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.16 -28.44 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.04 30.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.452 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 3.1 tpp -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.99 -29.92 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 -27.27 51.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.27 22.19 12.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -87.26 -44.27 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.726 0.298 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 m -43.33 -39.1 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.89 -43.62 66.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.42 -46.93 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.22 -32.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.19 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.631 ' CE2' HG23 ' A' ' 36' ' ' ILE . 11.3 m-85 -71.43 -55.78 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 34.4 t80 -35.95 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -58.55 -57.35 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -79.43 -33.32 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -135.01 93.2 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.24 -50.46 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 79.58 64.67 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 p -94.19 -176.55 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.85 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.38 -38.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.95 -45.59 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 13.5 mt -47.84 -53.81 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -48.25 -50.34 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -60.66 -55.74 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.631 HG23 ' CE2' ' A' ' 21' ' ' TYR . 84.9 mt -45.87 -33.46 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.12 -46.23 35.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -51.1 -19.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -85.32 -45.27 12.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 23.6 m -86.81 18.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 49.94 36.27 11.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.965 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 38.3 mt -125.18 157.02 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.616 0.722 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.54 3.62 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.672 2.248 . . . . 0.0 112.42 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 7.7 tp -82.75 -27.14 31.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.38 -52.48 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -53.98 -41.9 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.1 t -69.18 -37.9 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HE3' HD11 ' A' ' 44' ' ' LEU . 38.1 mttt -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -62.09 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -38.62 -52.18 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -54.56 -57.98 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.74 -33.23 60.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.7 -43.24 63.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.2 tpp -66.83 -50.76 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -55.34 -26.79 43.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.75 -22.39 27.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.26 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -94.79 -46.97 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HB3' ' NE1' ' A' ' 50' ' ' TRP . 36.7 mt . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -45.5 -41.87 10.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.96 -53.17 59.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -42.82 -40.54 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 22.2 tttt -45.84 -41.71 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -35.64 -48.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' A' ' 36' ' ' ILE . 96.8 m-85 -68.36 -52.53 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 9.5 t80 -38.56 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -53.8 -51.88 62.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.2 pp -87.6 -39.61 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.797 ' HB2' HD12 ' A' ' 24' ' ' LEU . 9.7 t-20 -129.68 94.09 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -54.56 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.28 80.74 2.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.1 Cg_endo -69.78 134.89 29.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.581 2.187 . . . . 0.0 112.382 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -61.09 -175.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.25 -58.57 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -41.89 -37.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 36' ' ' ILE . 19.0 mt-10 -83.21 -51.23 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 10.3 mt -42.9 -60.58 1.55 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -39.44 -43.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -59.9 -62.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.1 mp -46.08 -42.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.007 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -55.66 -59.86 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.61 -28.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -76.38 -48.58 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 42' ' ' LEU . 18.8 m -85.08 19.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 45.94 37.8 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.007 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.8 mt -127.46 157.86 71.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.584 0.707 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -179.05 2.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.8 tp -85.71 -24.24 27.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.23 -46.61 40.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.91 -42.78 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.13 -32.77 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -65.51 -55.42 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -47.72 -61.83 1.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CH2' ' SD ' ' A' ' 54' ' ' MET . 79.4 t90 -37.89 -62.01 0.59 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 10.1 m-85 -42.9 -46.16 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.64 -36.35 80.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.0 -57.03 13.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' CH2' ' A' ' 50' ' ' TRP . 18.4 ttp -63.01 -42.24 99.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 56.3 mt-30 -59.08 -24.82 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.55 -26.52 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.03 25.03 7.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.95 -46.42 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 54' ' ' MET . 81.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 -43.16 93.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.4 -46.77 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.85 -45.01 79.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -38.35 -44.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.12 -61.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 36' ' ' ILE . 88.9 m-85 -64.35 -54.78 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 80.0 t80 -36.05 -40.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -62.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.617 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.3 pp -71.51 -35.79 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.617 ' HB2' HD12 ' A' ' 24' ' ' LEU . 10.0 t-20 -129.46 87.44 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -56.07 -42.31 76.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -122.5 80.91 46.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.73 150.11 67.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 p -78.53 -179.44 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.79 -62.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -40.58 -39.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -76.69 -45.19 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 8.8 mt -49.95 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -41.04 -49.9 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 21' ' ' TYR . 19.4 mt -44.57 -45.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -45.79 -41.8 11.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -54.86 -41.03 70.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.4 p -61.32 -50.92 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.0 m -81.62 15.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 47.0 35.65 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.8 mt -122.87 157.49 59.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.623 0.725 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 178.38 4.65 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 13.5 tp -80.2 -23.98 40.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.59 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 43' ' ' PRO . 42.4 t -50.02 -39.61 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.64 -41.58 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -57.59 -52.41 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.29 -66.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 80.0 t90 -38.39 -59.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 7.7 m-85 -44.29 -48.66 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.15 -33.21 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -64.5 -55.09 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.571 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.3 ttp -58.85 -53.26 60.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.91 -35.93 62.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.67 -30.09 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.89 36.37 2.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.24 -44.31 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 50' ' ' TRP . 27.0 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.882 0.372 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -46.04 -43.71 14.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.9 -48.74 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.48 -51.09 61.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -38.99 -40.44 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.33 -46.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.589 ' CE2' HG23 ' A' ' 36' ' ' ILE . 74.8 m-85 -76.98 -35.65 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 64.4 t80 -59.1 -43.8 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.02 -62.74 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -74.21 -46.65 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.921 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -122.84 92.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -54.79 -61.76 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.81 80.81 4.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.13 32.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -82.52 168.86 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -50.55 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . 23.1 mt-10 -35.77 -39.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.44 -41.68 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' ALA . 19.1 mt -59.29 -64.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.0 t -44.51 -45.93 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -57.82 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 21' ' ' TYR . 42.6 mt -48.46 -35.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -66.46 -47.05 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.9 -17.66 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.8 m -86.54 -41.68 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 42' ' ' LEU . 12.2 m -90.68 15.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 54.43 34.65 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.989 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 28.6 mt -123.5 155.03 66.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.47 4.54 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.732 2.288 . . . . 0.0 112.318 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -81.35 -27.74 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -54.62 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 t -49.3 -52.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.68 -41.46 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -59.93 -47.95 83.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 mptp? -55.88 -64.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.664 ' CD1' HD22 ' A' ' 15' ' ' LEU . 84.2 t90 -38.14 -55.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -45.94 -38.96 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' LYS . 15.2 mm-40 -75.54 -24.66 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' CB ' HG12 ' A' ' 59' ' ' ILE . 28.3 mmtt -72.54 -56.97 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.588 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.6 ttp -58.45 -41.9 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.48 -29.48 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.0 -27.34 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.55 -15.12 19.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.9 -46.81 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.299 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 53' ' ' LYS . 5.6 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -81.4 -36.47 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -63.98 -43.21 96.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.15 -36.06 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -33.4 8.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.25 22.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.2 m-85 -71.8 -58.39 3.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 1.2 t80 -35.99 -42.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.48 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.1 pp -66.82 -39.65 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.545 ' ND2' ' OE1' ' A' ' 32' ' ' GLU . 5.1 t-20 -121.07 91.25 3.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.55 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -131.73 84.56 54.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.449 0.642 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.82 146.26 59.3 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 164.42 20.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.16 -64.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' ALA . 46.8 mt-10 -34.83 -36.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' ND2' ' A' ' 25' ' ' ASN . 25.0 mt-10 -88.28 -54.8 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -36.48 -62.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -39.99 -56.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 8.4 mptt -56.51 -48.68 76.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' CE1' ' A' ' 21' ' ' TYR . 62.2 mt -57.16 -29.11 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.13 -52.82 10.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.68 -24.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 t -72.92 -48.86 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.5 m -85.68 14.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 57.81 32.9 22.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 26.5 mt -121.84 155.57 60.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 174.68 9.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.514 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.0 tp -78.33 -22.8 47.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -46.74 24.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG11 HD13 ' A' ' 42' ' ' LEU . 20.2 t -55.65 -46.28 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 -37.99 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 44' ' ' LEU . 43.1 mttt -58.67 -43.01 89.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.27 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -38.78 -49.86 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' A' ' 33' ' ' LEU . 9.5 m-85 -53.91 -58.1 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.21 -28.89 56.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.51 -42.88 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.5 tmm? -71.88 -37.6 70.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.63 -26.67 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.65 -31.21 28.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.63 20.78 8.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -85.66 -40.47 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 63.6 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -44.66 -53.3 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.66 -45.04 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HG13 ' A' ' 47' ' ' VAL . 16.7 mt -63.76 -46.9 83.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -45.39 -31.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -44.89 -63.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.902 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.4 m-85 -56.03 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' TYR . 30.4 t80 -35.87 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -60.63 -56.44 21.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.9 pp -76.94 -39.94 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 t-20 -110.69 104.22 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -131.01 81.17 67.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.69 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.76 159.32 53.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 p -89.6 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -57.35 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -39.07 -36.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -85.95 -54.15 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 51' ' ' PHE . 15.8 mt -37.89 -45.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.9 t -54.59 -53.26 56.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -53.59 -58.4 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' CE2' ' A' ' 21' ' ' TYR . 4.1 mp -47.94 -34.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -71.3 -41.89 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.55 -20.71 57.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -81.35 -40.2 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG23 ' HB2' ' A' ' 42' ' ' LEU . 8.9 m -92.44 14.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.86 28.53 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 mt -116.37 156.1 47.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.694 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.72 174.42 9.51 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.66 -23.24 49.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.48 -53.17 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.2 t -48.99 -53.22 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 HD22 ' A' ' 18' ' ' LEU . 42.3 t -59.42 -42.26 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -53.07 -54.71 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -47.63 -62.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CD1' HD13 ' A' ' 15' ' ' LEU . 76.4 t90 -37.25 -57.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 33' ' ' LEU . 29.8 m-85 -52.57 -50.89 62.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.72 -35.27 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -72.6 -54.77 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.881 ' HB2' HD12 ' A' ' 59' ' ' ILE . 51.0 tpp -57.88 -54.3 48.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.72 -29.28 59.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.61 -28.18 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.04 21.58 9.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.18 -49.78 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.881 HD12 ' HB2' ' A' ' 54' ' ' MET . 65.4 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.802 HD23 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LEU . 75.2 m -34.48 -39.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.69 -58.34 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.17 -43.34 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -40.18 -40.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.89 9.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.819 ' CE1' HG23 ' A' ' 36' ' ' ILE . 83.2 m-85 -72.66 -59.66 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE2' ' SD ' ' A' ' 54' ' ' MET . 49.0 t80 -38.35 -35.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.84 -58.35 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -86.43 -41.79 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -124.35 94.19 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -60.21 -57.04 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.14 80.96 2.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 160.47 49.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.573 2.182 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -83.01 -176.55 6.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.0 -60.67 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -39.01 -37.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.11 -54.05 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -37.23 -62.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -42.89 -56.92 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -55.15 -55.6 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 ' CE1' ' A' ' 21' ' ' TYR . 78.9 mt -49.0 -31.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -77.07 -29.37 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.25 -20.9 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -78.77 -48.11 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' A' ' 42' ' ' LEU . 14.5 m -84.43 15.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 m120 53.69 30.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.801 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.5 mt -116.46 155.44 48.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.86 174.83 9.02 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -76.2 -26.81 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -56.85 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.2 t -46.77 -47.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG21 ' HB2' ' A' ' 37' ' ' ALA . 71.0 t -65.76 -40.04 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -59.43 -53.5 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -51.71 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.802 ' HE1' HD23 ' A' ' 15' ' ' LEU . 78.3 t90 -38.23 -57.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -48.76 -52.05 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -63.02 -25.18 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.52 -40.76 41.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 22' ' ' TYR . 1.4 ttm -71.86 -46.34 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.09 -27.35 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.13 39.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.73 26.16 5.95 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -94.28 -44.03 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -72.54 115.9 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.812 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -128.4 143.4 50.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.66 174.31 24.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 12.9 m -129.32 122.57 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.2 m -36.0 108.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.65 -83.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -129.14 156.27 78.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 169.64 18.39 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.79 177.58 5.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' ND2' ' A' ' 13' ' ' ASN . 1.6 tt -81.43 130.78 35.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.0 -36.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' ND2' HD22 ' A' ' 11' ' ' LEU . 99.5 m-20 -47.64 -48.85 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 15' ' ' LEU . 7.7 tt -42.71 -60.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 14' ' ' LEU . 13.5 mt -36.64 -46.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -43.14 -47.64 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' A' ' 40' ' ' VAL . 23.3 mt -49.15 -42.86 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 26.3 mt -70.45 -54.41 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.2 mptp? -36.24 -35.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -49.97 -59.36 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 36' ' ' ILE . 98.6 m-85 -62.38 -63.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.7 t80 -39.57 -28.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -49.78 -47.56 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.636 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.27 -38.91 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 21.1 t-20 -95.52 90.58 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.99 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -131.2 80.82 67.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 54.6 Cg_endo -69.77 137.6 35.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -72.78 -178.67 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -41.02 -40.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.98 -44.47 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.1 mt -53.45 -60.46 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -46.21 -41.21 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -67.0 -60.88 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 21' ' ' TYR . 70.5 mt -45.77 -32.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -64.33 -57.01 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.84 -21.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -46.55 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -86.92 15.19 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 53.4 32.6 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.928 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 50.5 mt -122.89 156.63 61.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.2 tp -85.3 -21.6 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.03 -48.72 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.77 -35.54 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.17 -39.35 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' A' ' 44' ' ' LEU . 55.5 mttt -57.22 -47.91 80.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -62.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.48 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 68.5 t90 -40.24 -52.16 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.481 ' CD2' HD21 ' A' ' 33' ' ' LEU . 23.2 m-85 -56.99 -54.61 44.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.82 -31.99 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -43.74 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.582 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 2.3 tpp -66.58 -54.74 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.04 -31.87 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.48 -28.95 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.86 38.2 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.5 -47.84 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.5 mm -53.48 -40.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.1 t -156.91 115.98 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.521 HG13 ' HG3' ' A' ' 62' ' ' GLN . 13.6 p -50.98 -27.83 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.521 ' HG3' HG13 ' A' ' 61' ' ' VAL . 41.0 mt-30 -100.22 88.41 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.0 m -108.51 153.85 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -53.85 -45.52 70.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -136.07 167.8 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.07 -99.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -130.78 89.78 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -92.42 104.46 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 80.65 -60.69 4.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 54.1 mt-30 -34.88 144.71 0.2 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.55 0.69 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 148.6 64.75 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.594 2.196 . . . . 0.0 112.249 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 13' ' ' ASN . 22.7 tp -65.19 147.67 53.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -58.77 -37.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.876 ' O ' HD12 ' A' ' 17' ' ' LEU . 6.6 m120 -47.34 -21.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.68 -46.45 58.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.93 -50.55 5.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -43.19 -43.51 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 13' ' ' ASN . 8.0 mt -56.18 -56.98 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.56 -40.99 84.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -47.75 -28.19 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -49.92 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.596 ' CE1' HG23 ' A' ' 36' ' ' ILE . 86.5 m-85 -61.51 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' TYR . 16.3 t80 -36.06 -40.9 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.58 -64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.3 pp -74.92 -41.5 59.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.674 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -127.55 90.05 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.12 -69.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -107.37 80.86 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.523 0.677 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.2 Cg_endo -69.69 161.79 44.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.2 m -97.78 163.18 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -36.9 -63.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.6 mm-40 -34.66 -40.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -85.24 -55.91 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD23 HG12 ' A' ' 47' ' ' VAL . 12.4 mt -38.28 -63.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -43.42 -48.86 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -61.61 -56.42 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 21' ' ' TYR . 61.0 mt -48.83 -30.87 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.59 -53.39 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -53.37 -18.6 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -84.7 -42.18 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.4 m -90.89 11.29 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 56.93 36.85 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.974 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.3 mt -127.64 157.48 73.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.524 0.678 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.78 175.05 8.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.93 -24.82 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -43.8 54.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG23 ' HG2' ' A' ' 43' ' ' PRO . 24.2 t -61.18 -42.75 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 33' ' ' LEU . 94.7 t -70.29 -34.93 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -65.14 -48.42 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -59.37 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' NE1' HD13 ' A' ' 59' ' ' ILE . 76.6 t90 -42.62 -63.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 10.6 m-85 -41.56 -49.05 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.68 -41.53 95.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.59 -58.94 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.3 tmm? -56.36 -46.46 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.71 -31.21 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.4 -31.06 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.58 22.11 7.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -83.46 -45.05 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 45.46 41.69 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.28 -25.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -87.16 96.62 10.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.68 117.05 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.768 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t 59.9 41.32 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -108.01 156.74 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 -176.59 40.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -148.49 152.8 37.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -69.49 -45.65 68.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 -88.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -44.08 153.36 0.43 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.493 0.663 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.7 65.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -179.44 2.95 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.62 2.213 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.778 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -41.75 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -55.48 -25.77 38.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' LEU . 12.8 p30 -58.42 -25.9 62.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tp -48.59 -55.13 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -67.64 -36.59 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -48.27 -56.56 7.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 13' ' ' ASN . 5.8 mp -46.66 -44.98 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' LYS . 15.2 mt -68.0 -58.66 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 15' ' ' LEU . 9.9 ttmm -36.29 -40.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.61 -56.71 1.02 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CE1' HG23 ' A' ' 36' ' ' ILE . 87.7 m-85 -56.57 -54.33 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 45.1 t80 -37.5 -40.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.5 pp -88.92 -43.48 11.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.88 ' N ' HD12 ' A' ' 24' ' ' LEU . 46.2 t-20 -115.74 86.68 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -62.07 -58.8 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.58 80.8 1.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.557 0.694 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.72 169.66 18.33 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -98.07 -175.04 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -54.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.34 -30.86 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -88.33 -37.86 15.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 48' ' ' LYS . 9.7 mt -54.35 -64.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -46.24 -44.91 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 1.1 tmmt? -56.68 -62.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' CE1' ' A' ' 21' ' ' TYR . 80.5 mt -47.13 -39.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.75 -54.4 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -48.25 -29.15 3.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.6 m -78.25 -42.68 30.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 42' ' ' LEU . 29.2 m -88.79 18.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 47.47 44.02 16.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.996 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 33.6 mt -133.77 157.2 78.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.67 174.64 9.14 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 48' ' ' LYS . 11.2 tp -78.45 -24.5 46.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -51.83 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.0 t -51.42 -47.98 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.41 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' CG ' HD13 ' A' ' 33' ' ' LEU . 19.1 mtpp -64.81 -52.39 57.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.67 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.446 ' NE1' HD13 ' A' ' 59' ' ' ILE . 70.5 t90 -38.62 -63.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 8.0 m-85 -44.56 -46.89 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -64.0 -41.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.48 -59.69 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.0 tmm? -57.2 -52.25 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.37 -28.26 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 -27.66 30.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.09 24.04 6.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.59 -45.44 8.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.446 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.9 mt -78.69 85.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 82.9 p -174.51 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.52 118.16 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.09 134.05 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 p -170.22 142.43 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -137.89 144.68 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -77.57 81.83 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 116.51 0.37 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 140.63 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -87.8 155.76 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.49 -59.57 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.26 151.36 72.39 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.56 65.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 169.72 18.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.88 121.51 11.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 18.9 pttt -61.07 -32.37 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 2.9 t-20 -39.23 -44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.0 pp -66.23 -36.65 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LYS . 65.8 mt -53.54 -42.2 67.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 14' ' ' LEU . 65.0 mt -71.35 -37.59 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.64 -39.01 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -40.73 -41.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.52 -51.51 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD2' HG23 ' A' ' 36' ' ' ILE . 22.2 m-85 -68.43 -33.77 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -60.31 -39.14 85.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.81 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.5 pp -68.82 -36.25 77.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -129.72 94.68 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.56 -52.29 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -128.5 80.85 71.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.5 Cg_endo -69.74 154.04 68.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -91.26 164.22 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.86 -62.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . 42.1 mt-10 -36.15 -38.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -84.65 -55.07 4.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 48' ' ' LYS . 12.1 mt -38.24 -59.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -58.06 10.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 21' ' ' TYR . 77.3 mt -47.8 -27.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.959 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -78.05 -57.07 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -43.74 -25.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -74.82 -51.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 42' ' ' LEU . 31.2 m -84.33 19.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 51.02 34.91 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.959 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 25.0 mt -121.5 156.07 58.63 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.8 Cg_endo -69.82 178.22 4.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.285 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.6 tp -81.88 -21.89 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.87 -48.29 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 43' ' ' PRO . 25.7 t -54.22 -42.74 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.12 -40.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 33' ' ' LEU . 48.0 mttt -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -53.55 -65.37 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.413 ' CD1' HD22 ' A' ' 15' ' ' LEU . 79.8 t90 -36.99 -57.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -49.5 -51.97 32.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.24 -32.41 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -74.36 -45.07 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 tpp -66.45 -54.13 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -52.53 -26.89 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.54 -24.77 25.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.02 33.8 5.63 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -98.72 -44.99 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.76 -40.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -119.09 37.49 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.93 -28.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.85 139.95 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -48.14 97.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -128.7 -50.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.902 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 55.8 45.13 24.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.58 64.71 0.73 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -45.19 159.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -170.35 159.97 7.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.13 51.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -50.17 149.2 5.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.518 0.675 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.79 65.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.601 2.201 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.79 176.22 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -80.97 -33.3 33.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.614 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.1 m-80 -44.84 -28.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -49.62 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 15.9 mt -76.45 -53.58 7.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 67.0 m -35.59 -48.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 13' ' ' ASN . 10.1 mt -47.35 -58.16 4.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' LYS . 21.9 mt -43.41 -43.91 5.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' LEU . 45.9 tttt -36.96 -42.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.29 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.47 -42.29 87.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 33.5 t80 -55.48 -34.05 64.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.98 -55.1 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -83.39 -51.43 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 25.4 t-20 -87.49 97.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.12 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -127.72 79.91 72.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.81 156.64 62.69 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -95.61 169.8 9.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -52.01 -60.5 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' ALA . 4.8 mm-40 -35.26 -37.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 36' ' ' ILE . 27.5 mt-10 -85.39 -57.11 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 48' ' ' LYS . 12.3 mt -36.99 -53.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -50.55 -52.91 34.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -54.59 -60.13 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -46.86 -33.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.4 -53.85 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -49.61 -20.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -84.7 -43.67 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 42' ' ' LEU . 16.0 m -89.56 20.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 46.91 40.88 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.024 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.1 mt -131.31 155.27 81.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.751 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.72 174.64 9.17 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -77.65 -27.03 50.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.66 -51.54 19.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.4 t -53.04 -46.08 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.57 -38.13 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 33' ' ' LEU . 53.4 mttt -57.79 -53.01 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' TRP . 12.9 mptt -51.06 -60.72 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 70.9 t90 -36.08 -53.24 0.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 13.1 m-85 -56.83 -51.75 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.41 -32.51 64.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -53.48 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -58.29 -49.89 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.11 -28.61 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.76 -27.53 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.79 13.75 31.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.574 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -76.34 -47.89 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.73 95.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.209 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.1 m -77.33 160.89 28.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 62' ' ' GLN . 14.5 p -115.35 157.48 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 61' ' ' VAL . 1.8 pp0? -171.07 169.07 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.1 p -151.57 125.37 9.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -108.26 93.58 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -110.0 120.54 42.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.22 176.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -139.76 127.1 21.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -82.29 129.2 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.93 -59.66 3.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -88.76 144.17 32.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 162.2 42.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.403 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.856 HD12 ' HB2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -75.94 147.8 38.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -54.97 -32.43 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.856 ' HB2' HD12 ' A' ' 11' ' ' LEU . 16.8 m120 -46.44 -32.25 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.85 HD21 HD11 ' A' ' 42' ' ' LEU . 1.4 tm? -61.08 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.8 pp -55.22 -38.69 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 p -58.14 -44.6 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.51 -26.14 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.28 -38.95 49.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -48.29 -34.85 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.2 -37.18 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.0 m-85 -84.25 -60.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 42.2 t80 -41.52 -44.79 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . -35.53 -61.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.773 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.86 -38.65 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -93.85 90.23 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB3' ' OE1' ' A' ' 27' ' ' GLN . . . -58.79 -50.2 74.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' OE1' ' HB3' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -129.47 80.77 71.39 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.462 0.649 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 53.4 Cg_endo -69.73 146.19 59.62 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -87.68 -175.11 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.47 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.27 -37.24 7.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -82.59 -39.12 22.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.4 mt -61.32 -57.3 12.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 t -47.21 -46.48 24.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -60.48 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 HG23 ' CE2' ' A' ' 21' ' ' TYR . 72.9 mt -42.01 -36.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.11 -40.66 94.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' LYS . 15.5 t70 -61.69 -19.92 62.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 t -83.02 -43.88 15.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -89.04 17.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 50.01 39.1 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.929 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 39.2 mt -128.76 156.47 77.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.83 174.57 9.37 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.626 2.217 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.89 -30.76 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.74 -60.74 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.0 t -43.15 -42.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.73 -39.27 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -57.44 -43.25 83.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -54.93 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 15' ' ' LEU . 75.7 t90 -37.53 -55.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -50.61 -53.25 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.92 -32.48 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -72.46 -48.95 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 38.0 tpp -62.53 -55.98 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.47 -29.86 26.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -29.7 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.77 20.3 10.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -82.65 -44.02 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.97 122.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -123.19 115.84 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.09 102.63 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -48.91 -64.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -139.93 142.06 36.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -127.14 135.34 50.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -71.1 108.14 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 68.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -97.14 126.34 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -142.42 111.36 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.75 -75.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -96.07 155.04 38.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.742 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 160.17 50.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 -174.05 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.765 2.31 . . . . 0.0 112.366 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.51 106.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -48.77 -38.26 21.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.49 ' O ' HD12 ' A' ' 17' ' ' LEU . 33.9 m120 -50.18 -32.15 15.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 15' ' ' LEU . 5.6 tt -61.63 -55.93 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 14' ' ' LEU . 23.8 mt -51.6 -37.6 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.021 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -53.35 -51.42 62.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 13' ' ' ASN . 5.2 mp -49.19 -26.91 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 20' ' ' ALA . 21.4 mt -90.07 -45.2 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -43.25 -24.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 18' ' ' LEU . . . -62.57 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' HA ' HD21 ' A' ' 24' ' ' LEU . 96.4 m-85 -43.42 -40.9 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 21.0 t80 -55.14 -45.42 75.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.64 -58.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.778 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -77.11 -38.34 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 12.3 t-20 -104.0 98.93 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -42.01 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.06 78.07 60.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.71 142.36 47.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.744 2.296 . . . . 0.0 112.341 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -84.64 -175.55 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.58 27.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.166 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -46.33 -33.11 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -87.18 -39.02 15.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD13 ' HG2' ' A' ' 48' ' ' LYS . 16.7 mt -61.11 -55.09 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.41 -42.24 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.58 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.81 -36.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -60.18 -52.79 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.39 -20.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -83.86 -42.24 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -89.63 13.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 54.64 32.96 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.015 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 46.5 mt -123.21 156.71 62.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.49 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.81 -24.14 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.25 -54.14 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -50.15 -44.09 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.6 -41.94 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HG2' HD13 ' A' ' 33' ' ' LEU . 28.7 mtpt -56.43 -48.67 76.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -53.29 -65.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.533 ' CD1' HD22 ' A' ' 15' ' ' LEU . 81.5 t90 -36.76 -58.67 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 16.9 m-85 -46.47 -48.95 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.05 -37.05 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -50.28 41.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.578 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 43.8 tpp -59.64 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -53.39 -28.62 30.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.82 -25.69 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.03 17.33 32.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.71 -45.75 16.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.93 88.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 m -39.96 116.72 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.69 40.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.11 154.67 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -151.73 142.9 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -89.91 158.12 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -164.45 113.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.43 53.23 39.57 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m -105.54 99.53 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.785 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -158.53 159.25 35.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.12 -96.52 0.16 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -101.49 158.66 31.36 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.515 0.674 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.89 150.31 67.26 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -175.38 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 14' ' ' LEU . 11.9 tp -42.46 133.69 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -88.23 -50.23 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.474 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -45.17 -37.26 4.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.786 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -46.64 -39.32 11.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' HE1' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -88.17 -33.82 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -58.14 -42.97 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.97 -52.41 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 15' ' ' LEU . 24.2 mt -40.37 -44.97 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' ALA . 44.8 mttp -38.33 -46.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -34.19 -56.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -66.61 -45.97 77.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 51.6 t80 -47.37 -33.36 5.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.04 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -82.25 -48.52 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 24.8 t-20 -105.85 92.23 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.86 -47.91 83.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.24 79.01 73.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.977 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.6 Cg_endo -69.71 149.45 67.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -84.35 163.4 19.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -44.41 -62.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 35.6 mm-40 -34.62 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.4 mm-40 -83.42 -55.8 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD13 ' CG ' ' A' ' 48' ' ' LYS . 10.1 mt -36.35 -52.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -50.71 -47.12 59.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -60.84 -57.23 13.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.7 mp -51.27 -36.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -63.09 -56.13 19.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.42 -26.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.6 t -76.9 -47.44 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 42' ' ' LEU . 26.9 m -86.22 20.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 46.49 43.9 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.958 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.3 mt -134.03 157.27 78.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.78 175.9 7.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 33' ' ' LEU . 12.9 tp -77.97 -27.92 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.23 -56.3 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 43' ' ' PRO . 36.8 t -47.44 -44.61 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 33' ' ' LEU . 92.3 t -67.51 -41.52 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' CG ' HD13 ' A' ' 33' ' ' LEU . 36.6 mtpt -56.32 -51.37 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.3 mptp? -51.12 -65.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.49 ' HE1' HD13 ' A' ' 15' ' ' LEU . 80.0 t90 -36.84 -58.63 0.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 18.9 m-85 -47.85 -51.79 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.48 -32.42 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -73.23 -47.27 44.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.426 ' HE2' ' CH2' ' A' ' 50' ' ' TRP . 12.6 tpp -64.57 -52.59 56.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -53.68 -28.48 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -27.78 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.15 -18.08 16.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -39.79 -42.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.437 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.5 mt -89.47 111.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 t -40.35 154.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.0 t -124.89 140.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -135.86 124.54 23.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -70.9 137.91 49.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -148.91 146.93 28.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -114.58 135.99 53.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 113.42 0.34 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -95.84 -49.66 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.388 . . . . 0.0 110.893 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -89.86 143.88 26.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 129.38 9.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -153.8 151.67 25.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 153.28 69.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.744 2.296 . . . . 0.0 112.283 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 177.72 5.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -81.93 161.54 23.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.79 -24.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.593 ' HB2' HD12 ' A' ' 11' ' ' LEU . 9.4 t-20 -51.08 -34.39 30.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.6 tm? -44.7 -37.14 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -82.55 -34.82 27.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -62.93 -40.07 96.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.61 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 40' ' ' VAL . 40.5 mt -58.01 -51.37 69.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -38.48 -39.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.11 -58.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.3 m-85 -57.05 -48.15 79.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.5 t80 -53.82 -20.25 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -61.24 -41.77 97.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -95.64 -41.5 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -100.27 109.61 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.36 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.09 80.83 68.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 148.75 65.77 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.776 2.318 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 p -83.5 -176.21 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.9 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.91 -31.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 36' ' ' ILE . 17.4 mm-40 -92.02 -54.88 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.3 mt -35.71 -46.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mmpt? -57.3 -57.49 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.2 mp -51.5 -43.29 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -62.7 -42.07 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -27.59 55.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -82.14 -44.02 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.688 HG21 HD21 ' A' ' 18' ' ' LEU . 17.0 m -81.87 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.81 42.56 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.906 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 59.0 mt -133.31 155.35 80.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HG2' ' CG2' ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.85 174.17 9.97 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.755 2.303 . . . . 0.0 112.27 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 15.4 tp -77.39 -29.11 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -70.18 -57.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HG2' ' A' ' 43' ' ' PRO . 25.6 t -46.21 -48.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 37' ' ' ALA . 96.8 t -68.23 -40.81 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.04 -45.86 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -58.11 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 19' ' ' LYS . 76.6 t90 -40.74 -57.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -47.7 -49.72 27.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.37 -33.07 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -48.14 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 4.1 tpp -61.98 -54.15 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -54.9 -29.57 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.49 13.76 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.32 37.76 60.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -99.82 -48.83 4.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.36 131.31 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.3 m -95.29 106.04 18.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 63' ' ' SER . 33.2 m -81.95 171.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -48.55 -42.82 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.5 p -89.91 146.79 24.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -118.12 -49.88 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -51.41 138.57 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.94 173.01 42.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m 49.47 40.74 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -88.47 148.31 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.52 -38.85 1.8 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 24.9 tt0 -67.32 143.07 97.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.935 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 54.6 Cg_endo -69.73 157.09 61.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 174.36 9.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.18 139.82 48.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -61.97 -51.68 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.85 -45.58 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 14' ' ' LEU . 3.1 tt -46.35 -51.4 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 14' ' ' LEU . 25.4 mt -45.12 -32.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.4 t -75.71 -34.39 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.3 mt -57.13 -21.85 35.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.48 -44.01 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -43.18 -38.23 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.57 -40.01 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 45.0 m-85 -76.11 -56.25 4.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 15.4 t80 -39.95 -32.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.51 8.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.0 pp -86.24 -37.17 18.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' LEU . 49.0 t-20 -126.12 87.24 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -52.87 -69.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.46 81.04 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 54.9 Cg_endo -69.72 151.19 69.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -74.54 178.46 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -59.2 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -42.49 -38.75 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -81.02 -39.71 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.28 -58.12 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -48.13 -43.2 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.777 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -65.13 -58.71 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 19.8 mt -48.12 -35.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.79 -49.42 76.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.2 -25.32 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -74.89 -41.39 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.1 m -91.13 11.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 58.82 27.62 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.2 mt -118.47 156.2 51.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.657 0.741 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.7 176.93 6.07 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.43 -23.48 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 -52.03 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 42' ' ' LEU . 20.8 t -49.97 -47.49 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.11 -43.62 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -53.61 -50.69 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -38.22 -61.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -44.31 -41.43 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -73.35 -40.73 64.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.95 -55.27 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -58.49 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -55.54 -34.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.93 -27.3 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.5 35.49 3.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -97.56 -49.58 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.08 -41.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -72.31 145.59 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.7 p -119.12 -15.17 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.28 153.66 31.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 t -141.75 152.01 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -122.91 134.14 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -54.73 164.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.43 -60.09 1.08 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.409 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t 56.35 45.07 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -116.31 133.43 56.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.34 135.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 17.4 tt0 -89.64 143.13 29.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.68 149.61 67.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 2.298 . . . . 0.0 112.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 179.8 3.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.432 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.64 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -76.33 135.41 39.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 13' ' ' ASN . 12.4 pttp -60.6 -50.16 74.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' LYS . 3.3 m-80 -35.49 -41.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tp -44.87 -55.24 5.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 16' ' ' SER . 4.0 pp -87.15 -44.89 11.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.679 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.0 m -48.82 -55.91 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -47.7 -37.78 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ALA . 14.8 mt -74.04 -54.73 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -37.62 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -59.27 -53.9 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD2' HG23 ' A' ' 36' ' ' ILE . 89.2 m-85 -63.95 -53.33 51.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 22.7 t80 -52.16 -34.34 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.78 -53.14 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.24 -39.21 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 23.8 t-20 -96.16 99.69 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.17 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -131.89 80.1 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.473 0.654 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 53.5 Cg_endo -69.81 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.615 2.21 . . . . 0.0 112.4 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -97.03 -175.12 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -42.12 -42.14 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.88 -39.58 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 21.6 mt -59.55 -54.99 40.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -49.5 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' ASP . 21.5 tttp -60.58 -62.06 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 21' ' ' TYR . 29.6 mt -42.74 -34.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.913 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -73.76 -37.39 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 5.9 m-20 -63.48 -11.16 21.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -93.42 -35.94 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 42' ' ' LEU . 9.7 m -93.03 9.02 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.99 30.85 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.913 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 70.4 mt -123.18 155.41 64.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.532 0.682 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.27 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' A' ' 48' ' ' LYS . 14.0 tp -83.17 -25.15 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -76.35 -53.0 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 45' ' ' ASP . 54.7 t -56.73 -40.35 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 37' ' ' ALA . 48.2 t -71.07 -37.76 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' A' ' 44' ' ' LEU . 37.3 mttt -57.57 -43.65 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.1 mptm? -55.14 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 t90 -36.62 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 12.8 m-85 -58.1 -57.79 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.09 -29.88 46.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.53 -50.14 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.718 ' HB2' HD12 ' A' ' 59' ' ' ILE . 50.5 tpp -61.99 -55.57 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.57 -30.75 32.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.47 -26.08 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.45 17.37 22.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -77.95 -49.86 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 54' ' ' MET . 59.4 mt -60.52 -55.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.5 t -159.48 148.03 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.811 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.91 -27.03 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -112.02 120.63 42.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -130.9 -54.81 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.878 -179.779 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -98.46 115.61 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.951 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -110.86 130.15 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.0 120.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t 41.01 43.14 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -100.6 104.9 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.09 -132.89 7.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 tt0 -66.57 143.06 97.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 54.4 Cg_endo -69.69 166.97 25.7 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 170.65 16.11 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' A' ' 14' ' ' LEU . 23.2 mt -47.82 154.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.69 -28.6 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -53.68 -37.82 63.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.7 pp -72.12 -28.99 63.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HD1' ' A' ' 50' ' ' TRP . 42.6 mt -74.2 -42.14 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -59.92 -46.41 89.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 14' ' ' LEU . 35.5 mt -47.57 -55.62 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.38 -43.08 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 ttmp? -39.32 -42.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -36.44 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.743 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 97.2 m-85 -55.64 -58.3 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' ' 26' ' ' ALA . 14.2 t80 -36.16 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.69 -61.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.1 pp -79.93 -39.34 30.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.699 ' HB2' HD12 ' A' ' 24' ' ' LEU . 58.3 t-20 -126.51 88.12 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HA ' ' CG ' ' A' ' 22' ' ' TYR . . . -52.55 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.4 pt20 -107.41 81.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.72 165.58 30.43 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -91.56 -176.82 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.66 5.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -42.92 -40.25 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -78.07 -40.17 39.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 15.8 mt -57.71 -62.63 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.6 t -45.99 -44.84 15.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.88 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.743 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 20.1 mt -48.88 -35.36 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.42 -59.45 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.05 -33.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 m -70.82 -46.72 62.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 42' ' ' LEU . 20.1 m -85.06 14.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 50.92 42.34 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.7 mt -133.3 157.01 79.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.63 174.7 9.02 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.419 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.7 tp -79.35 -25.25 42.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -47.09 37.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 43' ' ' PRO . 28.1 t -58.17 -40.61 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.89 -41.09 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -58.78 -54.27 49.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -50.65 -60.11 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.82 ' HD1' HD22 ' A' ' 15' ' ' LEU . 75.2 t90 -39.54 -58.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -45.25 -46.74 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.99 -46.5 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.44 -49.11 75.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.39 -42.14 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.03 -29.92 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.88 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.34 47.23 89.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -112.24 -44.93 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.73 -58.48 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.2 t -146.3 162.39 38.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -148.67 141.17 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -123.29 -51.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -131.29 177.13 7.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.817 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 60.54 40.43 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 m -71.89 111.18 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.07 39.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -153.27 127.96 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -54.99 170.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.95 -88.37 0.49 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 17.7 tt0 -95.25 143.04 25.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.3 Cg_endo -69.71 148.65 65.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.79 171.34 14.67 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.714 2.276 . . . . 0.0 112.271 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 tp -56.39 133.98 53.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 17.1 ptmt -46.1 -40.41 10.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 m120 -43.16 -34.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 42' ' ' LEU . 1.6 tm? -44.15 -59.79 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.86 -28.0 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -64.25 -25.05 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.24 -45.63 14.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -42.17 54.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -43.53 -39.59 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -40.81 -59.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CD2' HG23 ' A' ' 36' ' ' ILE . 64.1 m-85 -64.63 -54.4 32.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 84.1 t80 -48.31 -23.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -55.25 -43.26 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -102.02 -39.35 7.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' OD1' ' CA ' ' A' ' 28' ' ' PRO . 34.1 t-20 -101.45 85.72 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.67 -60.11 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -117.42 80.78 13.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.484 0.659 . . . . 0.0 110.952 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CA ' ' OD1' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.84 167.33 24.85 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 p -98.61 -177.24 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -56.3 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -43.83 -37.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -83.44 -45.04 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.17 -55.45 17.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.9 t -45.26 -55.4 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -55.89 -61.23 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 21' ' ' TYR . 69.8 mt -39.8 -36.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.919 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.93 -45.44 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.55 -19.37 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -83.55 -48.61 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -84.62 19.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.62 36.93 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.919 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.4 mt -124.68 157.66 64.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -178.98 2.61 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.605 2.204 . . . . 0.0 112.401 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.02 -25.41 29.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.1 -54.66 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 t -50.47 -42.92 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.64 -43.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -53.4 -49.05 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' TRP . 5.6 mptt -54.13 -65.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.432 ' NE1' HD13 ' A' ' 59' ' ' ILE . 80.1 t90 -36.23 -58.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -49.51 -52.97 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.16 -28.44 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.04 30.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.452 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 3.1 tpp -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.99 -29.92 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 -27.27 51.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.27 22.19 12.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -87.26 -44.27 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD13 ' NE1' ' A' ' 50' ' ' TRP . 74.6 mt -71.79 -55.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLN . 59.5 p -83.18 114.81 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -37.5 -32.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' SER . 78.8 mt-30 -84.97 129.62 34.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 t -115.16 150.61 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.787 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -95.01 -50.4 5.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.384 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -105.8 170.45 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.35 -42.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -103.03 -59.46 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -40.62 115.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.9 -175.51 34.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.62 149.5 92.32 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.541 0.686 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 149.09 66.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.401 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -172.22 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.379 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.16 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -81.43 -61.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -43.42 -34.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.6 tm? -45.54 -51.91 11.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.12 -50.82 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 m -43.33 -39.1 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.89 -43.62 66.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.42 -46.93 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.22 -32.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.19 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.631 ' CE2' HG23 ' A' ' 36' ' ' ILE . 11.3 m-85 -71.43 -55.78 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 34.4 t80 -35.95 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -58.55 -57.35 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -79.43 -33.32 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -135.01 93.2 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.24 -50.46 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 79.58 64.67 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 p -94.19 -176.55 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.85 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.38 -38.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.95 -45.59 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 13.5 mt -47.84 -53.81 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -48.25 -50.34 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -60.66 -55.74 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.631 HG23 ' CE2' ' A' ' 21' ' ' TYR . 84.9 mt -45.87 -33.46 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.12 -46.23 35.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -51.1 -19.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -85.32 -45.27 12.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 23.6 m -86.81 18.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 49.94 36.27 11.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.965 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 38.3 mt -125.18 157.02 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.616 0.722 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.54 3.62 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.672 2.248 . . . . 0.0 112.42 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 7.7 tp -82.75 -27.14 31.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.38 -52.48 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -53.98 -41.9 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.1 t -69.18 -37.9 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HE3' HD11 ' A' ' 44' ' ' LEU . 38.1 mttt -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -62.09 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -38.62 -52.18 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -54.56 -57.98 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.74 -33.23 60.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.7 -43.24 63.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.2 tpp -66.83 -50.76 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -55.34 -26.79 43.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.75 -22.39 27.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.26 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -94.79 -46.97 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.6 mm -52.06 105.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.5 p -156.99 172.96 17.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -161.49 148.45 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.18 163.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.0 p -80.02 -47.22 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 -179.787 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -136.03 173.82 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -50.86 -58.48 5.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.47 92.78 0.53 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.591 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -51.43 123.61 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -51.4 159.4 0.71 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.81 -105.85 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.409 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 18.2 tt0 -47.63 143.14 6.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.3 Cg_endo -69.87 166.74 26.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.758 2.305 . . . . 0.0 112.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.41 129.37 39.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.63 -34.04 71.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -78.54 -34.81 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 14' ' ' LEU . 4.8 tt -49.18 -44.81 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HB3' ' NE1' ' A' ' 50' ' ' TRP . 36.7 mt -79.56 -43.01 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -45.5 -41.87 10.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.96 -53.17 59.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -42.82 -40.54 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 22.2 tttt -45.84 -41.71 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -35.64 -48.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' A' ' 36' ' ' ILE . 96.8 m-85 -68.36 -52.53 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 9.5 t80 -38.56 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -53.8 -51.88 62.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.2 pp -87.6 -39.61 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.797 ' HB2' HD12 ' A' ' 24' ' ' LEU . 9.7 t-20 -129.68 94.09 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -54.56 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.28 80.74 2.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.1 Cg_endo -69.78 134.89 29.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.581 2.187 . . . . 0.0 112.382 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -61.09 -175.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.25 -58.57 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -41.89 -37.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 36' ' ' ILE . 19.0 mt-10 -83.21 -51.23 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 10.3 mt -42.9 -60.58 1.55 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -39.44 -43.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -59.9 -62.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.1 mp -46.08 -42.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.007 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -55.66 -59.86 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.61 -28.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -76.38 -48.58 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 42' ' ' LEU . 18.8 m -85.08 19.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 45.94 37.8 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.007 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.8 mt -127.46 157.86 71.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.584 0.707 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -179.05 2.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.8 tp -85.71 -24.24 27.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.23 -46.61 40.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.91 -42.78 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.13 -32.77 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -65.51 -55.42 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -47.72 -61.83 1.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CH2' ' SD ' ' A' ' 54' ' ' MET . 79.4 t90 -37.89 -62.01 0.59 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 10.1 m-85 -42.9 -46.16 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.64 -36.35 80.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.0 -57.03 13.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' CH2' ' A' ' 50' ' ' TRP . 18.4 ttp -63.01 -42.24 99.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 56.3 mt-30 -59.08 -24.82 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.55 -26.52 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.03 25.03 7.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.95 -46.42 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 54' ' ' MET . 81.1 mt -72.75 103.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -104.62 143.28 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.37 -32.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -86.15 -53.14 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -73.0 126.25 29.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -118.95 108.82 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.97 0.414 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -125.09 122.65 37.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.38 162.24 18.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -93.3 110.0 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -71.24 127.07 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.29 -61.95 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.79 149.05 0.42 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.705 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 161.82 44.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.222 . . . . 0.0 112.362 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.837 ' HA ' HD13 ' A' ' 14' ' ' LEU . 52.9 Cg_endo -69.88 152.01 68.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.6 2.2 . . . . 0.0 112.343 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.806 HD23 ' H ' ' A' ' 12' ' ' LYS . 1.3 tt -124.26 166.95 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.806 ' H ' HD23 ' A' ' 11' ' ' LEU . 9.8 ptmt -42.37 -49.23 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.607 ' ND2' HD22 ' A' ' 11' ' ' LEU . 1.3 p30 -60.55 -36.21 77.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD13 ' HA ' ' A' ' 10' ' ' PRO . 10.3 tt -64.68 -51.96 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp -73.58 -26.51 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 -43.16 93.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.4 -46.77 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.85 -45.01 79.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -38.35 -44.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.12 -61.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 36' ' ' ILE . 88.9 m-85 -64.35 -54.78 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 80.0 t80 -36.05 -40.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -62.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.617 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.3 pp -71.51 -35.79 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' HB2' HD12 ' A' ' 24' ' ' LEU . 10.0 t-20 -129.46 87.44 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -56.07 -42.31 76.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -122.5 80.91 46.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.73 150.11 67.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 p -78.53 -179.44 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.79 -62.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -40.58 -39.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -76.69 -45.19 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 8.8 mt -49.95 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -41.04 -49.9 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 21' ' ' TYR . 19.4 mt -44.57 -45.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -45.79 -41.8 11.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -54.86 -41.03 70.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.4 p -61.32 -50.92 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.0 m -81.62 15.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 47.0 35.65 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.8 mt -122.87 157.49 59.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.623 0.725 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 178.38 4.65 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 13.5 tp -80.2 -23.98 40.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.59 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 43' ' ' PRO . 42.4 t -50.02 -39.61 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.64 -41.58 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -57.59 -52.41 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.29 -66.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 80.0 t90 -38.39 -59.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 7.7 m-85 -44.29 -48.66 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.15 -33.21 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -64.5 -55.09 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.571 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.3 ttp -58.85 -53.26 60.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.91 -35.93 62.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.67 -30.09 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.89 36.37 2.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.24 -44.31 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.31 109.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.0 t -119.66 162.17 19.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -102.3 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' CD ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -93.5 41.1 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -77.74 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.853 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -142.56 168.23 20.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -67.75 106.01 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 166.84 13.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -68.35 88.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -77.54 92.2 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.43 -109.39 2.29 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.66 147.78 56.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 167.33 24.8 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.614 2.21 . . . . 0.0 112.368 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 170.79 15.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.83 169.26 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -83.59 -44.75 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.469 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.1 p30 -54.78 -43.9 73.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 14' ' ' LEU . 9.0 tt -37.42 -49.61 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 50' ' ' TRP . 27.0 mt -63.39 -49.27 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -46.04 -43.71 14.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 13' ' ' ASN . 6.8 mp -56.9 -48.74 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.48 -51.09 61.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -38.99 -40.44 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.33 -46.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.589 ' CE2' HG23 ' A' ' 36' ' ' ILE . 74.8 m-85 -76.98 -35.65 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 64.4 t80 -59.1 -43.8 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.02 -62.74 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -74.21 -46.65 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.921 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -122.84 92.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -54.79 -61.76 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.81 80.81 4.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.13 32.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -82.52 168.86 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -50.55 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . 23.1 mt-10 -35.77 -39.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.44 -41.68 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' ALA . 19.1 mt -59.29 -64.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.0 t -44.51 -45.93 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -57.82 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 21' ' ' TYR . 42.6 mt -48.46 -35.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -66.46 -47.05 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.9 -17.66 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.8 m -86.54 -41.68 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 42' ' ' LEU . 12.2 m -90.68 15.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 54.43 34.65 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.989 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 28.6 mt -123.5 155.03 66.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.47 4.54 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.732 2.288 . . . . 0.0 112.318 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -81.35 -27.74 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -54.62 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 t -49.3 -52.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.68 -41.46 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -59.93 -47.95 83.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 mptp? -55.88 -64.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.664 ' CD1' HD22 ' A' ' 15' ' ' LEU . 84.2 t90 -38.14 -55.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -45.94 -38.96 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' LYS . 15.2 mm-40 -75.54 -24.66 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' CB ' HG12 ' A' ' 59' ' ' ILE . 28.3 mmtt -72.54 -56.97 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.588 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.6 ttp -58.45 -41.9 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.48 -29.48 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.0 -27.34 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.55 -15.12 19.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.9 -46.81 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.299 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 53' ' ' LYS . 5.6 mm -73.23 101.97 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -44.46 168.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.6 t -110.69 119.2 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.22 138.98 31.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -165.0 139.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -45.5 148.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -140.34 140.9 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.82 -163.29 12.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -78.03 103.52 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -152.95 146.41 24.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.17 56.53 2.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 146.95 33.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.71 65.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.613 2.209 . . . . 0.0 112.365 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -179.25 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.4 145.44 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -48.85 -44.12 39.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.644 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.5 m120 -44.61 -25.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.3 tm? -48.71 -49.79 36.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.1 pp -66.01 -20.76 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -81.4 -36.47 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 HD12 ' O ' ' A' ' 13' ' ' ASN . 4.5 mp -63.98 -43.21 96.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.15 -36.06 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -33.4 8.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.25 22.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.2 m-85 -71.8 -58.39 3.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 1.2 t80 -35.99 -42.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.48 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.1 pp -66.82 -39.65 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.545 ' ND2' ' OE1' ' A' ' 32' ' ' GLU . 5.1 t-20 -121.07 91.25 3.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.55 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -131.73 84.56 54.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.449 0.642 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.82 146.26 59.3 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 164.42 20.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.16 -64.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' ALA . 46.8 mt-10 -34.83 -36.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' OE1' ' ND2' ' A' ' 25' ' ' ASN . 25.0 mt-10 -88.28 -54.8 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -36.48 -62.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -39.99 -56.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 8.4 mptt -56.51 -48.68 76.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' CE1' ' A' ' 21' ' ' TYR . 62.2 mt -57.16 -29.11 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.13 -52.82 10.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.68 -24.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 t -72.92 -48.86 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.5 m -85.68 14.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 57.81 32.9 22.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 26.5 mt -121.84 155.57 60.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 174.68 9.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.514 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.0 tp -78.33 -22.8 47.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -46.74 24.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG11 HD13 ' A' ' 42' ' ' LEU . 20.2 t -55.65 -46.28 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 -37.99 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 44' ' ' LEU . 43.1 mttt -58.67 -43.01 89.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.27 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -38.78 -49.86 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' A' ' 33' ' ' LEU . 9.5 m-85 -53.91 -58.1 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.21 -28.89 56.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.51 -42.88 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.5 tmm? -71.88 -37.6 70.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.63 -26.67 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.65 -31.21 28.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.63 20.78 8.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -85.66 -40.47 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 63.6 mt -76.25 104.49 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -60.86 140.41 57.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.6 t -107.58 106.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 55.39 42.21 30.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -40.34 127.79 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.776 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -61.42 93.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t -70.01 134.19 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.94 119.37 0.72 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -140.89 119.14 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -112.68 118.72 35.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.67 -120.77 6.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.587 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -136.68 144.03 45.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.21 39.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -177.73 2.0 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.752 2.301 . . . . 0.0 112.39 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 14' ' ' LEU . 6.1 tp -59.97 108.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.02 -14.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.7 m-80 -61.56 -22.06 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.904 HD22 ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.4 -12.69 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.764 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -45.55 -64.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -44.66 -53.3 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.66 -45.04 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HG13 ' A' ' 47' ' ' VAL . 16.7 mt -63.76 -46.9 83.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -45.39 -31.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -44.89 -63.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.902 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.4 m-85 -56.03 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' TYR . 30.4 t80 -35.87 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -60.63 -56.44 21.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.9 pp -76.94 -39.94 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 t-20 -110.69 104.22 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -131.01 81.17 67.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.69 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.76 159.32 53.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 p -89.6 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -57.35 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -39.07 -36.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -85.95 -54.15 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 51' ' ' PHE . 15.8 mt -37.89 -45.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.9 t -54.59 -53.26 56.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -53.59 -58.4 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' CE2' ' A' ' 21' ' ' TYR . 4.1 mp -47.94 -34.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -71.3 -41.89 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.55 -20.71 57.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -81.35 -40.2 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG23 ' HB2' ' A' ' 42' ' ' LEU . 8.9 m -92.44 14.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.86 28.53 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 mt -116.37 156.1 47.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.694 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.72 174.42 9.51 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.66 -23.24 49.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.48 -53.17 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.2 t -48.99 -53.22 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 HD22 ' A' ' 18' ' ' LEU . 42.3 t -59.42 -42.26 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -53.07 -54.71 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -47.63 -62.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CD1' HD13 ' A' ' 15' ' ' LEU . 76.4 t90 -37.25 -57.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 33' ' ' LEU . 29.8 m-85 -52.57 -50.89 62.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.72 -35.27 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -72.6 -54.77 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.881 ' HB2' HD12 ' A' ' 59' ' ' ILE . 51.0 tpp -57.88 -54.3 48.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.72 -29.28 59.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.61 -28.18 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.04 21.58 9.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.18 -49.78 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.881 HD12 ' HB2' ' A' ' 54' ' ' MET . 65.4 mt -63.27 95.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -57.7 148.59 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -174.36 143.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -113.94 143.73 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -71.01 140.12 50.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 -179.853 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 p -100.24 90.48 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.802 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -78.93 85.71 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.52 -67.38 3.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 142.14 51.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 47.57 42.3 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.52 88.16 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.12 145.99 66.35 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 121.609 0.719 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.37 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.727 2.285 . . . . 0.0 112.293 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 171.85 13.58 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 ' H ' HD12 ' A' ' 11' ' ' LEU . 1.5 mp -66.06 -179.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.0 pttt -92.24 -40.66 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' O ' HD12 ' A' ' 17' ' ' LEU . 37.3 m-20 -34.68 -39.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 15' ' ' LEU . 2.4 tp -50.89 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.802 HD23 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -66.42 -57.12 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LEU . 75.2 m -34.48 -39.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 13' ' ' ASN . 35.3 mt -69.69 -58.34 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.17 -43.34 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -40.18 -40.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.89 9.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.819 ' CE1' HG23 ' A' ' 36' ' ' ILE . 83.2 m-85 -72.66 -59.66 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE2' ' SD ' ' A' ' 54' ' ' MET . 49.0 t80 -38.35 -35.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.84 -58.35 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -86.43 -41.79 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -124.35 94.19 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -60.21 -57.04 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.14 80.96 2.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 160.47 49.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.573 2.182 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -83.01 -176.55 6.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.0 -60.67 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -39.01 -37.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.11 -54.05 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -37.23 -62.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -42.89 -56.92 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -55.15 -55.6 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 ' CE1' ' A' ' 21' ' ' TYR . 78.9 mt -49.0 -31.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -77.07 -29.37 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.25 -20.9 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -78.77 -48.11 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' A' ' 42' ' ' LEU . 14.5 m -84.43 15.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 m120 53.69 30.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.801 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.5 mt -116.46 155.44 48.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.86 174.83 9.02 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -76.2 -26.81 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -56.85 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.2 t -46.77 -47.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG21 ' HB2' ' A' ' 37' ' ' ALA . 71.0 t -65.76 -40.04 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -59.43 -53.5 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -51.71 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.802 ' HE1' HD23 ' A' ' 15' ' ' LEU . 78.3 t90 -38.23 -57.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -48.76 -52.05 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -63.02 -25.18 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.52 -40.76 41.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 22' ' ' TYR . 1.4 ttm -71.86 -46.34 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.09 -27.35 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.13 39.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.73 26.16 5.95 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -94.28 -44.03 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.3 mm -64.97 123.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.2 p -105.33 163.79 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.71 -32.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -133.0 40.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.3 t -41.88 144.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.842 0.353 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -43.14 -47.64 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' A' ' 40' ' ' VAL . 23.3 mt -49.15 -42.86 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 26.3 mt -70.45 -54.41 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.2 mptp? -36.24 -35.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -49.97 -59.36 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 36' ' ' ILE . 98.6 m-85 -62.38 -63.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.7 t80 -39.57 -28.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -49.78 -47.56 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.27 -38.91 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 21.1 t-20 -95.52 90.58 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.99 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -131.2 80.82 67.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 54.6 Cg_endo -69.77 137.6 35.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -72.78 -178.67 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -41.02 -40.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.98 -44.47 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.1 mt -53.45 -60.46 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -46.21 -41.21 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -67.0 -60.88 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 21' ' ' TYR . 70.5 mt -45.77 -32.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -64.33 -57.01 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.84 -21.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -46.55 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -86.92 15.19 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 53.4 32.6 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.928 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 50.5 mt -122.89 156.63 61.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.2 tp -85.3 -21.6 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.03 -48.72 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.77 -35.54 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.17 -39.35 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' A' ' 44' ' ' LEU . 55.5 mttt -57.22 -47.91 80.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -62.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.48 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 68.5 t90 -40.24 -52.16 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.481 ' CD2' HD21 ' A' ' 33' ' ' LEU . 23.2 m-85 -56.99 -54.61 44.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.82 -31.99 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -43.74 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.582 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 2.3 tpp -66.58 -54.74 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.04 -31.87 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.48 -28.95 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.86 38.2 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -104.5 -47.84 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -43.19 -43.51 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -56.18 -56.98 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.56 -40.99 84.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -47.75 -28.19 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -49.92 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.596 ' CE1' HG23 ' A' ' 36' ' ' ILE . 86.5 m-85 -61.51 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' TYR . 16.3 t80 -36.06 -40.9 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.58 -64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.3 pp -74.92 -41.5 59.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.674 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -127.55 90.05 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.12 -69.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 1.9 pm0 -107.37 80.86 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.523 0.677 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.2 Cg_endo -69.69 161.79 44.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.2 m -97.78 163.18 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -36.9 -63.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.6 mm-40 -34.66 -40.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -85.24 -55.91 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD23 HG12 ' A' ' 47' ' ' VAL . 12.4 mt -38.28 -63.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -43.42 -48.86 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -61.61 -56.42 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 21' ' ' TYR . 61.0 mt -48.83 -30.87 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.59 -53.39 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -53.37 -18.6 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -84.7 -42.18 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.4 m -90.89 11.29 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 56.93 36.85 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.974 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.3 mt -127.64 157.48 73.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.524 0.678 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.78 175.05 8.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.93 -24.82 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -43.8 54.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.525 HG23 ' HG2' ' A' ' 43' ' ' PRO . 24.2 t -61.18 -42.75 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 33' ' ' LEU . 94.7 t -70.29 -34.93 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -65.14 -48.42 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -59.37 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' NE1' HD13 ' A' ' 59' ' ' ILE . 76.6 t90 -42.62 -63.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 10.6 m-85 -41.56 -49.05 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.68 -41.53 95.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.59 -58.94 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.3 tmm? -56.36 -46.46 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 27' ' ' GLN . 67.5 mt-30 -59.71 -31.21 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.4 -31.06 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.58 22.11 7.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -83.46 -45.05 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.874 0.369 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -48.27 -56.56 7.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.66 -44.98 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.961 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' LYS . 15.2 mt -68.0 -58.66 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 15' ' ' LEU . 9.9 ttmm -36.29 -40.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.61 -56.71 1.02 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CE1' HG23 ' A' ' 36' ' ' ILE . 87.7 m-85 -56.57 -54.33 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 45.1 t80 -37.5 -40.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.5 pp -88.92 -43.48 11.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.88 ' N ' HD12 ' A' ' 24' ' ' LEU . 46.2 t-20 -115.74 86.68 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -62.07 -58.8 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.58 80.8 1.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.557 0.694 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.72 169.66 18.33 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -98.07 -175.04 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -54.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.34 -30.86 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -88.33 -37.86 15.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 48' ' ' LYS . 9.7 mt -54.35 -64.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -46.24 -44.91 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 1.1 tmmt? -56.68 -62.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' CE1' ' A' ' 21' ' ' TYR . 80.5 mt -47.13 -39.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.75 -54.4 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -48.25 -29.15 3.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.6 m -78.25 -42.68 30.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 42' ' ' LEU . 29.2 m -88.79 18.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 47.47 44.02 16.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.996 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 33.6 mt -133.77 157.2 78.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.67 174.64 9.14 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 48' ' ' LYS . 11.2 tp -78.45 -24.5 46.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -51.83 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.0 t -51.42 -47.98 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.41 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.543 ' CG ' HD13 ' A' ' 33' ' ' LEU . 19.1 mtpp -64.81 -52.39 57.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.67 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.446 ' NE1' HD13 ' A' ' 59' ' ' ILE . 70.5 t90 -38.62 -63.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 8.0 m-85 -44.56 -46.89 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -64.0 -41.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.48 -59.69 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.0 tmm? -57.2 -52.25 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 64.8 mt-30 -50.37 -28.26 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 -27.66 30.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.09 24.04 6.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.59 -45.44 8.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.446 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 50' ' ' TRP . 65.8 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -71.35 -37.59 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.64 -39.01 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -40.73 -41.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.52 -51.51 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD2' HG23 ' A' ' 36' ' ' ILE . 22.2 m-85 -68.43 -33.77 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -60.31 -39.14 85.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.81 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.5 pp -68.82 -36.25 77.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -129.72 94.68 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.56 -52.29 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -128.5 80.85 71.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.5 Cg_endo -69.74 154.04 68.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -91.26 164.22 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.86 -62.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . 42.1 mt-10 -36.15 -38.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -84.65 -55.07 4.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 48' ' ' LYS . 12.1 mt -38.24 -59.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -58.06 10.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 21' ' ' TYR . 77.3 mt -47.8 -27.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.959 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -78.05 -57.07 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -43.74 -25.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -74.82 -51.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 42' ' ' LEU . 31.2 m -84.33 19.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 51.02 34.91 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.959 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 25.0 mt -121.5 156.07 58.63 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.8 Cg_endo -69.82 178.22 4.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.285 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.6 tp -81.88 -21.89 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.87 -48.29 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 43' ' ' PRO . 25.7 t -54.22 -42.74 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.12 -40.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 33' ' ' LEU . 48.0 mttt -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -53.55 -65.37 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.413 ' CD1' HD22 ' A' ' 15' ' ' LEU . 79.8 t90 -36.99 -57.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -49.5 -51.97 32.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.24 -32.41 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -74.36 -45.07 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 tpp -66.45 -54.13 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -52.53 -26.89 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.54 -24.77 25.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.02 33.8 5.63 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -98.72 -44.99 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 15.9 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.719 0.295 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 67.0 m -35.59 -48.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -47.35 -58.16 4.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' LYS . 21.9 mt -43.41 -43.91 5.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' LEU . 45.9 tttt -36.96 -42.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.29 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.47 -42.29 87.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 33.5 t80 -55.48 -34.05 64.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.98 -55.1 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -83.39 -51.43 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 25.4 t-20 -87.49 97.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.12 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -127.72 79.91 72.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.81 156.64 62.69 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -95.61 169.8 9.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -52.01 -60.5 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' ALA . 4.8 mm-40 -35.26 -37.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 36' ' ' ILE . 27.5 mt-10 -85.39 -57.11 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 48' ' ' LYS . 12.3 mt -36.99 -53.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -50.55 -52.91 34.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -54.59 -60.13 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.579 HD12 ' H ' ' A' ' 36' ' ' ILE . 3.9 mp -46.86 -33.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.4 -53.85 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -49.61 -20.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -84.7 -43.67 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 42' ' ' LEU . 16.0 m -89.56 20.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 46.91 40.88 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.024 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.1 mt -131.31 155.27 81.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.751 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.72 174.64 9.17 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -77.65 -27.03 50.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.66 -51.54 19.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.4 t -53.04 -46.08 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.57 -38.13 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 33' ' ' LEU . 53.4 mttt -57.79 -53.01 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' TRP . 12.9 mptt -51.06 -60.72 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 70.9 t90 -36.08 -53.24 0.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 13.1 m-85 -56.83 -51.75 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.41 -32.51 64.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -53.48 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -58.29 -49.89 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.11 -28.61 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.76 -27.53 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.79 13.75 31.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.574 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -76.34 -47.89 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.209 179.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.879 0.371 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 p -58.14 -44.6 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.51 -26.14 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.28 -38.95 49.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -48.29 -34.85 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.2 -37.18 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.0 m-85 -84.25 -60.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 42.2 t80 -41.52 -44.79 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . -35.53 -61.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.773 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.86 -38.65 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -93.85 90.23 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB3' ' OE1' ' A' ' 27' ' ' GLN . . . -58.79 -50.2 74.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' OE1' ' HB3' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -129.47 80.77 71.39 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.462 0.649 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 53.4 Cg_endo -69.73 146.19 59.62 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -87.68 -175.11 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.47 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.27 -37.24 7.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -82.59 -39.12 22.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.4 mt -61.32 -57.3 12.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 t -47.21 -46.48 24.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -60.48 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 HG23 ' CE2' ' A' ' 21' ' ' TYR . 72.9 mt -42.01 -36.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.11 -40.66 94.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' LYS . 15.5 t70 -61.69 -19.92 62.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 t -83.02 -43.88 15.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -89.04 17.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 50.01 39.1 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.929 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 39.2 mt -128.76 156.47 77.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.83 174.57 9.37 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.626 2.217 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.89 -30.76 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.74 -60.74 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.0 t -43.15 -42.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.73 -39.27 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -57.44 -43.25 83.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -54.93 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 15' ' ' LEU . 75.7 t90 -37.53 -55.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -50.61 -53.25 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.92 -32.48 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -72.46 -48.95 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 38.0 tpp -62.53 -55.98 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.47 -29.86 26.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -29.7 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.77 20.3 10.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -82.65 -44.02 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 50' ' ' TRP . 23.8 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.838 0.351 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -53.35 -51.42 62.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 mp -49.19 -26.91 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 20' ' ' ALA . 21.4 mt -90.07 -45.2 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -43.25 -24.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 18' ' ' LEU . . . -62.57 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' HA ' HD21 ' A' ' 24' ' ' LEU . 96.4 m-85 -43.42 -40.9 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 21.0 t80 -55.14 -45.42 75.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.64 -58.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.778 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -77.11 -38.34 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 12.3 t-20 -104.0 98.93 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -42.01 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.06 78.07 60.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.71 142.36 47.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.744 2.296 . . . . 0.0 112.341 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -84.64 -175.55 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.58 27.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.166 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -46.33 -33.11 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -87.18 -39.02 15.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.515 HD13 ' HG2' ' A' ' 48' ' ' LYS . 16.7 mt -61.11 -55.09 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.41 -42.24 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.58 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.81 -36.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -60.18 -52.79 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.39 -20.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -83.86 -42.24 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -89.63 13.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.64 32.96 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.015 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 46.5 mt -123.21 156.71 62.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.49 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.81 -24.14 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.25 -54.14 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -50.15 -44.09 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.6 -41.94 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HG2' HD13 ' A' ' 33' ' ' LEU . 28.7 mtpt -56.43 -48.67 76.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -53.29 -65.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.533 ' CD1' HD22 ' A' ' 15' ' ' LEU . 81.5 t90 -36.76 -58.67 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 16.9 m-85 -46.47 -48.95 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.05 -37.05 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -50.28 41.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.578 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 43.8 tpp -59.64 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -53.39 -28.62 30.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.82 -25.69 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.03 17.33 32.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -80.71 -45.75 16.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' HE1' ' A' ' 50' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.858 0.361 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -58.14 -42.97 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.97 -52.41 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 15' ' ' LEU . 24.2 mt -40.37 -44.97 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' ALA . 44.8 mttp -38.33 -46.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -34.19 -56.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -66.61 -45.97 77.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 51.6 t80 -47.37 -33.36 5.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.04 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -82.25 -48.52 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 24.8 t-20 -105.85 92.23 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.86 -47.91 83.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.24 79.01 73.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.977 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.6 Cg_endo -69.71 149.45 67.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -84.35 163.4 19.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -44.41 -62.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 35.6 mm-40 -34.62 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.4 mm-40 -83.42 -55.8 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD13 ' CG ' ' A' ' 48' ' ' LYS . 10.1 mt -36.35 -52.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -50.71 -47.12 59.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -60.84 -57.23 13.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.7 mp -51.27 -36.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -63.09 -56.13 19.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.42 -26.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.6 t -76.9 -47.44 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 42' ' ' LEU . 26.9 m -86.22 20.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 46.49 43.9 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.958 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.3 mt -134.03 157.27 78.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.78 175.9 7.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 33' ' ' LEU . 12.9 tp -77.97 -27.92 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.23 -56.3 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 43' ' ' PRO . 36.8 t -47.44 -44.61 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 33' ' ' LEU . 92.3 t -67.51 -41.52 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' CG ' HD13 ' A' ' 33' ' ' LEU . 36.6 mtpt -56.32 -51.37 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.3 mptp? -51.12 -65.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.49 ' HE1' HD13 ' A' ' 15' ' ' LEU . 80.0 t90 -36.84 -58.63 0.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 18.9 m-85 -47.85 -51.79 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.48 -32.42 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -73.23 -47.27 44.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.426 ' HE2' ' CH2' ' A' ' 50' ' ' TRP . 12.6 tpp -64.57 -52.59 56.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.68 -28.48 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -27.78 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.15 -18.08 16.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -39.79 -42.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.437 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -62.93 -40.07 96.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.61 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 40' ' ' VAL . 40.5 mt -58.01 -51.37 69.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -38.48 -39.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.11 -58.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.3 m-85 -57.05 -48.15 79.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.5 t80 -53.82 -20.25 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -61.24 -41.77 97.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -95.64 -41.5 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.27 109.61 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.36 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.09 80.83 68.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 148.75 65.77 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.776 2.318 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 p -83.5 -176.21 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.9 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.91 -31.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 36' ' ' ILE . 17.4 mm-40 -92.02 -54.88 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.3 mt -35.71 -46.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mmpt? -57.3 -57.49 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.2 mp -51.5 -43.29 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -62.7 -42.07 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -27.59 55.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -82.14 -44.02 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.688 HG21 HD21 ' A' ' 18' ' ' LEU . 17.0 m -81.87 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.81 42.56 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.906 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 59.0 mt -133.31 155.35 80.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.85 174.17 9.97 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.755 2.303 . . . . 0.0 112.27 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 15.4 tp -77.39 -29.11 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -70.18 -57.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG23 ' HG2' ' A' ' 43' ' ' PRO . 25.6 t -46.21 -48.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 37' ' ' ALA . 96.8 t -68.23 -40.81 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.04 -45.86 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -58.11 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 19' ' ' LYS . 76.6 t90 -40.74 -57.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -47.7 -49.72 27.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.37 -33.07 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -48.14 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 4.1 tpp -61.98 -54.15 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -54.9 -29.57 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.49 13.76 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.32 37.76 60.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -99.82 -48.83 4.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.4 t -75.71 -34.39 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -57.13 -21.85 35.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.48 -44.01 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -43.18 -38.23 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.57 -40.01 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 45.0 m-85 -76.11 -56.25 4.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 15.4 t80 -39.95 -32.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.51 8.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.0 pp -86.24 -37.17 18.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' LEU . 49.0 t-20 -126.12 87.24 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -52.87 -69.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.46 81.04 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 54.9 Cg_endo -69.72 151.19 69.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -74.54 178.46 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -59.2 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -42.49 -38.75 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -81.02 -39.71 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.28 -58.12 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -48.13 -43.2 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.777 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -65.13 -58.71 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 19.8 mt -48.12 -35.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.79 -49.42 76.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.2 -25.32 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -74.89 -41.39 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.1 m -91.13 11.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 58.82 27.62 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.2 mt -118.47 156.2 51.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.657 0.741 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.7 176.93 6.07 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.43 -23.48 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 -52.03 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 42' ' ' LEU . 20.8 t -49.97 -47.49 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.11 -43.62 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -53.61 -50.69 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -38.22 -61.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -44.31 -41.43 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -73.35 -40.73 64.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.95 -55.27 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -58.49 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -55.54 -34.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.93 -27.3 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.5 35.49 3.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -97.56 -49.58 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.6 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 16' ' ' SER . 4.0 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.679 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.0 m -48.82 -55.91 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -47.7 -37.78 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ALA . 14.8 mt -74.04 -54.73 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -37.62 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -59.27 -53.9 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD2' HG23 ' A' ' 36' ' ' ILE . 89.2 m-85 -63.95 -53.33 51.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 22.7 t80 -52.16 -34.34 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.78 -53.14 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.24 -39.21 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 23.8 t-20 -96.16 99.69 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.17 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -131.89 80.1 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.473 0.654 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 53.5 Cg_endo -69.81 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.615 2.21 . . . . 0.0 112.4 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -97.03 -175.12 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -42.12 -42.14 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.88 -39.58 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 21.6 mt -59.55 -54.99 40.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -49.5 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' ASP . 21.5 tttp -60.58 -62.06 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 21' ' ' TYR . 29.6 mt -42.74 -34.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.913 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -73.76 -37.39 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 5.9 m-20 -63.48 -11.16 21.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -93.42 -35.94 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 42' ' ' LEU . 9.7 m -93.03 9.02 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.99 30.85 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.913 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 70.4 mt -123.18 155.41 64.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.532 0.682 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.27 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' A' ' 48' ' ' LYS . 14.0 tp -83.17 -25.15 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -76.35 -53.0 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 45' ' ' ASP . 54.7 t -56.73 -40.35 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 37' ' ' ALA . 48.2 t -71.07 -37.76 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' A' ' 44' ' ' LEU . 37.3 mttt -57.57 -43.65 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.1 mptm? -55.14 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 t90 -36.62 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 12.8 m-85 -58.1 -57.79 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.09 -29.88 46.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.53 -50.14 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.718 ' HB2' HD12 ' A' ' 59' ' ' ILE . 50.5 tpp -61.99 -55.57 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.57 -30.75 32.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.47 -26.08 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.45 17.37 22.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -77.95 -49.86 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 54' ' ' MET . 59.4 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HD1' ' A' ' 50' ' ' TRP . 42.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -59.92 -46.41 89.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -47.57 -55.62 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.38 -43.08 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 ttmp? -39.32 -42.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -36.44 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.743 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 97.2 m-85 -55.64 -58.3 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' ' 26' ' ' ALA . 14.2 t80 -36.16 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.69 -61.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.1 pp -79.93 -39.34 30.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.699 ' HB2' HD12 ' A' ' 24' ' ' LEU . 58.3 t-20 -126.51 88.12 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HA ' ' CG ' ' A' ' 22' ' ' TYR . . . -52.55 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' O ' ' CG ' ' A' ' 27' ' ' GLN . 5.4 pt20 -107.41 81.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.72 165.58 30.43 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -91.56 -176.82 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.66 5.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -42.92 -40.25 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -78.07 -40.17 39.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 15.8 mt -57.71 -62.63 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.6 t -45.99 -44.84 15.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.88 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.743 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 20.1 mt -48.88 -35.36 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.42 -59.45 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.05 -33.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 m -70.82 -46.72 62.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 42' ' ' LEU . 20.1 m -85.06 14.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 50.92 42.34 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.7 mt -133.3 157.01 79.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.63 174.7 9.02 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.419 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.7 tp -79.35 -25.25 42.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -47.09 37.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 43' ' ' PRO . 28.1 t -58.17 -40.61 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.89 -41.09 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -58.78 -54.27 49.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -50.65 -60.11 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.82 ' HD1' HD22 ' A' ' 15' ' ' LEU . 75.2 t90 -39.54 -58.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -45.25 -46.74 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.99 -46.5 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.44 -49.11 75.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.39 -42.14 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.03 -29.92 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.88 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.34 47.23 89.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -112.24 -44.93 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -64.25 -25.05 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.24 -45.63 14.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -42.17 54.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -43.53 -39.59 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -40.81 -59.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CD2' HG23 ' A' ' 36' ' ' ILE . 64.1 m-85 -64.63 -54.4 32.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 84.1 t80 -48.31 -23.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -55.25 -43.26 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -102.02 -39.35 7.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' OD1' ' CA ' ' A' ' 28' ' ' PRO . 34.1 t-20 -101.45 85.72 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.67 -60.11 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -117.42 80.78 13.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.484 0.659 . . . . 0.0 110.952 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CA ' ' OD1' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.84 167.33 24.85 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 p -98.61 -177.24 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -56.3 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -43.83 -37.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -83.44 -45.04 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.17 -55.45 17.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.9 t -45.26 -55.4 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -55.89 -61.23 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 21' ' ' TYR . 69.8 mt -39.8 -36.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.919 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.93 -45.44 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.55 -19.37 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -83.55 -48.61 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -84.62 19.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.62 36.93 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.919 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.4 mt -124.68 157.66 64.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -178.98 2.61 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.605 2.204 . . . . 0.0 112.401 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.02 -25.41 29.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.1 -54.66 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 t -50.47 -42.92 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.64 -43.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -53.4 -49.05 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' TRP . 5.6 mptt -54.13 -65.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.432 ' NE1' HD13 ' A' ' 59' ' ' ILE . 80.1 t90 -36.23 -58.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -49.51 -52.97 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.16 -28.44 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.04 30.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.452 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 3.1 tpp -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.99 -29.92 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 -27.27 51.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.27 22.19 12.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -87.26 -44.27 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.726 0.298 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 m -43.33 -39.1 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.89 -43.62 66.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.42 -46.93 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.22 -32.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.19 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.631 ' CE2' HG23 ' A' ' 36' ' ' ILE . 11.3 m-85 -71.43 -55.78 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 34.4 t80 -35.95 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -58.55 -57.35 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -79.43 -33.32 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -135.01 93.2 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.24 -50.46 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 79.58 64.67 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 p -94.19 -176.55 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.85 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.38 -38.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.95 -45.59 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 13.5 mt -47.84 -53.81 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -48.25 -50.34 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -60.66 -55.74 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.631 HG23 ' CE2' ' A' ' 21' ' ' TYR . 84.9 mt -45.87 -33.46 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.12 -46.23 35.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -51.1 -19.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -85.32 -45.27 12.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 23.6 m -86.81 18.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 49.94 36.27 11.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.965 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 38.3 mt -125.18 157.02 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.616 0.722 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.54 3.62 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.672 2.248 . . . . 0.0 112.42 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 7.7 tp -82.75 -27.14 31.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.38 -52.48 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -53.98 -41.9 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.1 t -69.18 -37.9 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HE3' HD11 ' A' ' 44' ' ' LEU . 38.1 mttt -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -62.09 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -38.62 -52.18 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -54.56 -57.98 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.74 -33.23 60.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.7 -43.24 63.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.2 tpp -66.83 -50.76 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -55.34 -26.79 43.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.75 -22.39 27.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.26 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -94.79 -46.97 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HB3' ' NE1' ' A' ' 50' ' ' TRP . 36.7 mt . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -45.5 -41.87 10.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.96 -53.17 59.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -42.82 -40.54 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 22.2 tttt -45.84 -41.71 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -35.64 -48.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' A' ' 36' ' ' ILE . 96.8 m-85 -68.36 -52.53 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 9.5 t80 -38.56 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -53.8 -51.88 62.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.2 pp -87.6 -39.61 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.797 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -129.68 94.09 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -54.56 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.28 80.74 2.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.1 Cg_endo -69.78 134.89 29.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.581 2.187 . . . . 0.0 112.382 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -61.09 -175.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.25 -58.57 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -41.89 -37.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 36' ' ' ILE . 19.0 mt-10 -83.21 -51.23 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 10.3 mt -42.9 -60.58 1.55 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -39.44 -43.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -59.9 -62.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.1 mp -46.08 -42.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.007 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -55.66 -59.86 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.61 -28.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -76.38 -48.58 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 42' ' ' LEU . 18.8 m -85.08 19.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 45.94 37.8 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.007 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.8 mt -127.46 157.86 71.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.584 0.707 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -179.05 2.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.8 tp -85.71 -24.24 27.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.23 -46.61 40.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.91 -42.78 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.13 -32.77 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -65.51 -55.42 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -47.72 -61.83 1.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CH2' ' SD ' ' A' ' 54' ' ' MET . 79.4 t90 -37.89 -62.01 0.59 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 10.1 m-85 -42.9 -46.16 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.64 -36.35 80.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.0 -57.03 13.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' CH2' ' A' ' 50' ' ' TRP . 18.4 ttp -63.01 -42.24 99.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 56.3 mt-30 -59.08 -24.82 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.55 -26.52 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.03 25.03 7.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.95 -46.42 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 54' ' ' MET . 81.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 -43.16 93.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.4 -46.77 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.85 -45.01 79.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -38.35 -44.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.12 -61.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 36' ' ' ILE . 88.9 m-85 -64.35 -54.78 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 80.0 t80 -36.05 -40.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -62.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.617 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.3 pp -71.51 -35.79 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.617 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.46 87.44 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -56.07 -42.31 76.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.488 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 10.6 pt20 -122.5 80.91 46.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.73 150.11 67.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 p -78.53 -179.44 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.79 -62.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -40.58 -39.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -76.69 -45.19 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 8.8 mt -49.95 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -41.04 -49.9 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 21' ' ' TYR . 19.4 mt -44.57 -45.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -45.79 -41.8 11.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -54.86 -41.03 70.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.4 p -61.32 -50.92 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.0 m -81.62 15.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 47.0 35.65 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.8 mt -122.87 157.49 59.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.623 0.725 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 178.38 4.65 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 13.5 tp -80.2 -23.98 40.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.59 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 43' ' ' PRO . 42.4 t -50.02 -39.61 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.64 -41.58 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -57.59 -52.41 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.29 -66.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 80.0 t90 -38.39 -59.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 7.7 m-85 -44.29 -48.66 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.15 -33.21 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -64.5 -55.09 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.571 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.3 ttp -58.85 -53.26 60.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.91 -35.93 62.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.67 -30.09 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.89 36.37 2.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.24 -44.31 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 50' ' ' TRP . 27.0 mt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.882 0.372 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -46.04 -43.71 14.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.9 -48.74 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.48 -51.09 61.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -38.99 -40.44 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.33 -46.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.589 ' CE2' HG23 ' A' ' 36' ' ' ILE . 74.8 m-85 -76.98 -35.65 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 64.4 t80 -59.1 -43.8 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.02 -62.74 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -74.21 -46.65 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.921 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -122.84 92.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -54.79 -61.76 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.81 80.81 4.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.13 32.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -82.52 168.86 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -50.55 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . 23.1 mt-10 -35.77 -39.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.44 -41.68 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' ALA . 19.1 mt -59.29 -64.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.0 t -44.51 -45.93 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -57.82 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 21' ' ' TYR . 42.6 mt -48.46 -35.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -66.46 -47.05 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.9 -17.66 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.8 m -86.54 -41.68 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 42' ' ' LEU . 12.2 m -90.68 15.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 54.43 34.65 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.989 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 28.6 mt -123.5 155.03 66.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.47 4.54 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.732 2.288 . . . . 0.0 112.318 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -81.35 -27.74 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -54.62 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 t -49.3 -52.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.68 -41.46 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -59.93 -47.95 83.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 mptp? -55.88 -64.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.664 ' CD1' HD22 ' A' ' 15' ' ' LEU . 84.2 t90 -38.14 -55.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -45.94 -38.96 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' LYS . 15.2 mm-40 -75.54 -24.66 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' CB ' HG12 ' A' ' 59' ' ' ILE . 28.3 mmtt -72.54 -56.97 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.588 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.6 ttp -58.45 -41.9 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.48 -29.48 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.0 -27.34 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.55 -15.12 19.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.9 -46.81 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.299 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 53' ' ' LYS . 5.6 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -81.4 -36.47 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -63.98 -43.21 96.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.15 -36.06 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -33.4 8.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.25 22.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.2 m-85 -71.8 -58.39 3.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 1.2 t80 -35.99 -42.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.48 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.1 pp -66.82 -39.65 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -121.07 91.25 3.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.55 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -131.73 84.56 54.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.449 0.642 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.82 146.26 59.3 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 164.42 20.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.16 -64.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' ALA . 46.8 mt-10 -34.83 -36.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.0 mt-10 -88.28 -54.8 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -36.48 -62.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -39.99 -56.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 8.4 mptt -56.51 -48.68 76.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' CE1' ' A' ' 21' ' ' TYR . 62.2 mt -57.16 -29.11 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.13 -52.82 10.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.68 -24.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 t -72.92 -48.86 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.5 m -85.68 14.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 57.81 32.9 22.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 26.5 mt -121.84 155.57 60.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 174.68 9.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.514 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.0 tp -78.33 -22.8 47.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -46.74 24.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG11 HD13 ' A' ' 42' ' ' LEU . 20.2 t -55.65 -46.28 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 -37.99 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 44' ' ' LEU . 43.1 mttt -58.67 -43.01 89.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.27 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -38.78 -49.86 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' A' ' 33' ' ' LEU . 9.5 m-85 -53.91 -58.1 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.21 -28.89 56.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.51 -42.88 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.5 tmm? -71.88 -37.6 70.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.63 -26.67 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.65 -31.21 28.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.63 20.78 8.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -85.66 -40.47 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 63.6 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.351 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -44.66 -53.3 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.66 -45.04 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HG13 ' A' ' 47' ' ' VAL . 16.7 mt -63.76 -46.9 83.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -45.39 -31.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -44.89 -63.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.902 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.4 m-85 -56.03 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' TYR . 30.4 t80 -35.87 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -60.63 -56.44 21.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.9 pp -76.94 -39.94 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -110.69 104.22 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -131.01 81.17 67.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.69 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.76 159.32 53.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 p -89.6 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -57.35 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -39.07 -36.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -85.95 -54.15 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 51' ' ' PHE . 15.8 mt -37.89 -45.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.9 t -54.59 -53.26 56.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -53.59 -58.4 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' CE2' ' A' ' 21' ' ' TYR . 4.1 mp -47.94 -34.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -71.3 -41.89 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.55 -20.71 57.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -81.35 -40.2 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG23 ' HB2' ' A' ' 42' ' ' LEU . 8.9 m -92.44 14.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.86 28.53 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 mt -116.37 156.1 47.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.694 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.72 174.42 9.51 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.66 -23.24 49.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.48 -53.17 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.2 t -48.99 -53.22 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 HD22 ' A' ' 18' ' ' LEU . 42.3 t -59.42 -42.26 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -53.07 -54.71 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -47.63 -62.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CD1' HD13 ' A' ' 15' ' ' LEU . 76.4 t90 -37.25 -57.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 33' ' ' LEU . 29.8 m-85 -52.57 -50.89 62.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.72 -35.27 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -72.6 -54.77 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.881 ' HB2' HD12 ' A' ' 59' ' ' ILE . 51.0 tpp -57.88 -54.3 48.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.72 -29.28 59.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.61 -28.18 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.04 21.58 9.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.18 -49.78 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.881 HD12 ' HB2' ' A' ' 54' ' ' MET . 65.4 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.802 HD23 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LEU . 75.2 m -34.48 -39.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.69 -58.34 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.17 -43.34 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -40.18 -40.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.89 9.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.819 ' CE1' HG23 ' A' ' 36' ' ' ILE . 83.2 m-85 -72.66 -59.66 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE2' ' SD ' ' A' ' 54' ' ' MET . 49.0 t80 -38.35 -35.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.84 -58.35 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -86.43 -41.79 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 94.19 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -60.21 -57.04 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.14 80.96 2.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 160.47 49.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.573 2.182 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -83.01 -176.55 6.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.0 -60.67 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -39.01 -37.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.11 -54.05 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -37.23 -62.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -42.89 -56.92 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -55.15 -55.6 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 ' CE1' ' A' ' 21' ' ' TYR . 78.9 mt -49.0 -31.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -77.07 -29.37 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.25 -20.9 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -78.77 -48.11 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' A' ' 42' ' ' LEU . 14.5 m -84.43 15.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 m120 53.69 30.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.801 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.5 mt -116.46 155.44 48.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.86 174.83 9.02 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -76.2 -26.81 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -56.85 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.2 t -46.77 -47.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG21 ' HB2' ' A' ' 37' ' ' ALA . 71.0 t -65.76 -40.04 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -59.43 -53.5 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -51.71 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.802 ' HE1' HD23 ' A' ' 15' ' ' LEU . 78.3 t90 -38.23 -57.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -48.76 -52.05 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -63.02 -25.18 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.52 -40.76 41.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 22' ' ' TYR . 1.4 ttm -71.86 -46.34 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.09 -27.35 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.13 39.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.73 26.16 5.95 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -94.28 -44.03 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -72.54 115.9 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.812 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -128.4 143.4 50.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.66 174.31 24.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 12.9 m -129.32 122.57 29.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.2 m -36.0 108.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.65 -83.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -129.14 156.27 78.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 169.64 18.39 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.79 177.58 5.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' ND2' ' A' ' 13' ' ' ASN . 1.6 tt -81.43 130.78 35.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -36.0 -36.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.556 ' ND2' HD22 ' A' ' 11' ' ' LEU . 99.5 m-20 -47.64 -48.85 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 15' ' ' LEU . 7.7 tt -42.71 -60.96 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' N ' HD23 ' A' ' 14' ' ' LEU . 13.5 mt -36.64 -46.77 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -43.14 -47.64 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' A' ' 40' ' ' VAL . 23.3 mt -49.15 -42.86 40.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 19' ' ' LYS . 26.3 mt -70.45 -54.41 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.2 mptp? -36.24 -35.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -49.97 -59.36 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 36' ' ' ILE . 98.6 m-85 -62.38 -63.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.003 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.7 t80 -39.57 -28.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -49.78 -47.56 50.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.27 -38.91 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' CG ' ' HB3' ' A' ' 28' ' ' PRO . 21.1 t-20 -95.52 90.58 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.99 70.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -131.2 80.82 67.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.634 0.731 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 54.6 Cg_endo -69.77 137.6 35.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -72.78 -178.67 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -41.02 -40.48 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -77.98 -44.47 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.1 mt -53.45 -60.46 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.1 t -46.21 -41.21 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -67.0 -60.88 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 21' ' ' TYR . 70.5 mt -45.77 -32.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.928 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -64.33 -57.01 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.84 -21.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 -46.55 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -86.92 15.19 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 53.4 32.6 14.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.928 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 50.5 mt -122.89 156.63 61.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.278 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.2 tp -85.3 -21.6 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.03 -48.72 13.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.5 t -58.77 -35.54 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.17 -39.35 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' HD11 ' A' ' 44' ' ' LEU . 55.5 mttt -57.22 -47.91 80.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -62.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.48 ' CH2' ' HE2' ' A' ' 54' ' ' MET . 68.5 t90 -40.24 -52.16 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.481 ' CD2' HD21 ' A' ' 33' ' ' LEU . 23.2 m-85 -56.99 -54.61 44.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.82 -31.99 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.781 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -43.74 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.582 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 2.3 tpp -66.58 -54.74 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.04 -31.87 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.48 -28.95 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.86 38.2 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -104.5 -47.84 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.5 mm -53.48 -40.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.1 t -156.91 115.98 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.521 HG13 ' HG3' ' A' ' 62' ' ' GLN . 13.6 p -50.98 -27.83 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.521 ' HG3' HG13 ' A' ' 61' ' ' VAL . 41.0 mt-30 -100.22 88.41 3.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.0 m -108.51 153.85 22.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -53.85 -45.52 70.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 p -136.07 167.8 20.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.07 -99.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -130.78 89.78 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -92.42 104.46 16.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 80.65 -60.69 4.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 54.1 mt-30 -34.88 144.71 0.2 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.55 0.69 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 148.6 64.75 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.594 2.196 . . . . 0.0 112.249 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.87 2.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.394 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 13' ' ' ASN . 22.7 tp -65.19 147.67 53.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -58.77 -37.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.876 ' O ' HD12 ' A' ' 17' ' ' LEU . 6.5 m-80 -47.34 -21.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.68 -46.45 58.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.93 -50.55 5.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -43.19 -43.51 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 13' ' ' ASN . 8.0 mt -56.18 -56.98 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.56 -40.99 84.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -47.75 -28.19 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.3 -49.92 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.596 ' CE1' HG23 ' A' ' 36' ' ' ILE . 86.5 m-85 -61.51 -53.69 53.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' TYR . 16.3 t80 -36.06 -40.9 0.23 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.58 -64.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.3 pp -74.92 -41.5 59.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.674 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -127.55 90.05 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.12 -69.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' HB3' ' NE2' ' A' ' 55' ' ' GLN . 1.9 pm0 -107.37 80.86 0.94 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.523 0.677 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.2 Cg_endo -69.69 161.79 44.56 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.2 m -97.78 163.18 12.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -36.9 -63.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.111 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 8.6 mm-40 -34.66 -40.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -85.24 -55.91 3.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD23 HG12 ' A' ' 47' ' ' VAL . 12.4 mt -38.28 -63.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -43.42 -48.86 7.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -61.61 -56.42 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.596 HG23 ' CE1' ' A' ' 21' ' ' TYR . 61.0 mt -48.83 -30.87 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.59 -53.39 23.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -53.37 -18.6 2.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 m -84.7 -42.18 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.4 m -90.89 11.29 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 56.93 36.85 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.974 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.3 mt -127.64 157.48 73.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.524 0.678 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.525 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.6 Cg_endo -69.78 175.05 8.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -79.93 -24.82 40.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -43.8 54.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG23 ' HG2' ' A' ' 43' ' ' PRO . 24.2 t -61.18 -42.75 94.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.173 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 HD23 ' A' ' 33' ' ' LEU . 94.7 t -70.29 -34.93 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -65.14 -48.42 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.945 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -59.37 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' NE1' HD13 ' A' ' 59' ' ' ILE . 76.6 t90 -42.62 -63.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 10.6 m-85 -41.56 -49.05 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -64.68 -41.53 95.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -61.59 -58.94 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.3 tmm? -56.36 -46.46 79.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 27' ' ' GLN . 67.5 mt-30 -59.71 -31.21 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.4 -31.06 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.58 22.11 7.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -83.46 -45.05 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt -71.71 130.28 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 45.46 41.69 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.28 -25.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -87.16 96.62 10.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 t -81.68 117.05 21.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.768 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t 59.9 41.32 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -108.01 156.74 18.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 -176.59 40.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 p -148.49 152.8 37.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -69.49 -45.65 68.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 -88.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -44.08 153.36 0.43 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.493 0.663 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.7 65.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.319 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -179.44 2.95 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.62 2.213 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.778 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -41.75 102.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -55.48 -25.77 38.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 17' ' ' LEU . 12.8 p30 -58.42 -25.9 62.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tp -48.59 -55.13 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -67.64 -36.59 81.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -48.27 -56.56 7.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 13' ' ' ASN . 5.8 mp -46.66 -44.98 18.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' LYS . 15.2 mt -68.0 -58.66 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 15' ' ' LEU . 9.9 ttmm -36.29 -40.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.61 -56.71 1.02 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.754 ' CE1' HG23 ' A' ' 36' ' ' ILE . 87.7 m-85 -56.57 -54.33 47.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 45.1 t80 -37.5 -40.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.5 pp -88.92 -43.48 11.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.88 ' N ' HD12 ' A' ' 24' ' ' LEU . 46.2 t-20 -115.74 86.68 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -62.07 -58.8 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.58 80.8 1.67 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.557 0.694 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.72 169.66 18.33 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.3 p -98.07 -175.04 3.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -54.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.34 -30.86 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -88.33 -37.86 15.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 ' CG ' ' A' ' 48' ' ' LYS . 9.7 mt -54.35 -64.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -46.24 -44.91 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 1.1 tmmt? -56.68 -62.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.754 HG23 ' CE1' ' A' ' 21' ' ' TYR . 80.5 mt -47.13 -39.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.996 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -59.75 -54.4 46.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -48.25 -29.15 3.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.6 m -78.25 -42.68 30.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 42' ' ' LEU . 29.2 m -88.79 18.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 47.47 44.02 16.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.996 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 33.6 mt -133.77 157.2 78.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.53 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.67 174.64 9.14 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' HD2' ' A' ' 48' ' ' LYS . 11.2 tp -78.45 -24.5 46.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -51.83 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.761 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.0 t -51.42 -47.98 34.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.164 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.41 -36.75 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' CG ' HD13 ' A' ' 33' ' ' LEU . 19.1 mtpp -64.81 -52.39 57.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -48.67 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.015 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.446 ' NE1' HD13 ' A' ' 59' ' ' ILE . 70.5 t90 -38.62 -63.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 8.0 m-85 -44.56 -46.89 10.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -64.0 -41.37 97.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -63.48 -59.69 4.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.0 tmm? -57.2 -52.25 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 64.8 mt-30 -50.37 -28.26 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 -27.66 30.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.09 24.04 6.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -90.59 -45.44 8.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.446 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.9 mt -78.69 85.12 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 82.9 p -174.51 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.52 118.16 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.09 134.05 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.0 p -170.22 142.43 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.773 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -137.89 144.68 41.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.896 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -77.57 81.83 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 116.51 0.37 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -60.34 140.63 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -87.8 155.76 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.949 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.49 -59.57 0.68 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.26 151.36 72.39 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.603 0.716 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 148.56 65.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.398 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 169.72 18.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.88 121.51 11.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 18.9 pttt -61.07 -32.37 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 2.9 t-20 -39.23 -44.82 1.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.688 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.0 pp -66.23 -36.65 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 12' ' ' LYS . 65.8 mt -53.54 -42.2 67.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -68.83 -26.95 65.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 14' ' ' LEU . 65.0 mt -71.35 -37.59 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.64 -39.01 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.001 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -40.73 -41.85 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.52 -51.51 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD2' HG23 ' A' ' 36' ' ' ILE . 22.2 m-85 -68.43 -33.77 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -60.31 -39.14 85.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.81 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.5 pp -68.82 -36.25 77.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -129.72 94.68 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.56 -52.29 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -128.5 80.85 71.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.5 Cg_endo -69.74 154.04 68.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 m -91.26 164.22 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.86 -62.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.048 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' ALA . 42.1 mt-10 -36.15 -38.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.975 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 mm-40 -84.65 -55.07 4.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 48' ' ' LYS . 12.1 mt -38.24 -59.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -39.78 -54.49 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -58.06 10.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 21' ' ' TYR . 77.3 mt -47.8 -27.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.959 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -78.05 -57.07 3.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -43.74 -25.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 m -74.82 -51.15 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 42' ' ' LEU . 31.2 m -84.33 19.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 51.02 34.91 11.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.959 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 25.0 mt -121.5 156.07 58.63 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.8 Cg_endo -69.82 178.22 4.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.285 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.6 tp -81.88 -21.89 37.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.87 -48.29 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 43' ' ' PRO . 25.7 t -54.22 -42.74 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.063 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.12 -40.65 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 33' ' ' LEU . 48.0 mttt -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -53.55 -65.37 0.58 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.413 ' CD1' HD22 ' A' ' 15' ' ' LEU . 79.8 t90 -36.99 -57.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -49.5 -51.97 32.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.24 -32.41 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -74.36 -45.07 49.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 tpp -66.45 -54.13 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -52.53 -26.89 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.54 -24.77 25.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.02 33.8 5.63 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -98.72 -44.99 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 0.0 110.935 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.76 -40.58 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -119.09 37.49 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -63.93 -28.48 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.85 139.95 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.4 t -48.14 97.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -128.7 -50.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.948 0.404 . . . . 0.0 110.902 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m 55.8 45.13 24.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.58 64.71 0.73 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -45.19 159.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -170.35 159.97 7.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.13 51.85 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 8' ' ' GLN . 7.8 mm-40 -50.17 149.2 5.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.518 0.675 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.79 65.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.601 2.201 . . . . 0.0 112.358 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -74.79 176.22 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 pttm -80.97 -33.3 33.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.614 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.1 m-80 -44.84 -28.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.3 tm? -49.62 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 50' ' ' TRP . 15.9 mt -76.45 -53.58 7.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' LEU . 67.0 m -35.59 -48.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 13' ' ' ASN . 10.1 mt -47.35 -58.16 4.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' LYS . 21.9 mt -43.41 -43.91 5.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.99 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 18' ' ' LEU . 45.9 tttt -36.96 -42.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -37.29 -57.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.47 -42.29 87.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 33.5 t80 -55.48 -34.05 64.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.98 -55.1 8.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -83.39 -51.43 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 25.4 t-20 -87.49 97.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.46 -52.12 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -127.72 79.91 72.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.81 156.64 62.69 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -95.61 169.8 9.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -52.01 -60.5 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' ALA . 4.8 mm-40 -35.26 -37.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 36' ' ' ILE . 27.5 mt-10 -85.39 -57.11 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 48' ' ' LYS . 12.3 mt -36.99 -53.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.7 t -50.55 -52.91 34.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -54.59 -60.13 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.9 mp -46.86 -33.41 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.4 -53.85 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -49.61 -20.76 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -84.7 -43.67 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' HB2' ' A' ' 42' ' ' LEU . 16.0 m -89.56 20.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 46.91 40.88 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.024 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.1 mt -131.31 155.27 81.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.678 0.751 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.72 174.64 9.17 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.6 tp -77.65 -27.03 50.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -72.66 -51.54 19.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.4 t -53.04 -46.08 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.57 -38.13 81.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' HG2' HD13 ' A' ' 33' ' ' LEU . 53.4 mttt -57.79 -53.01 63.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 50' ' ' TRP . 12.9 mptt -51.06 -60.72 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 70.9 t90 -36.08 -53.24 0.79 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 13.1 m-85 -56.83 -51.75 67.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -56.41 -32.51 64.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -53.48 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.591 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 52.6 tpp -58.29 -49.89 75.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -58.11 -28.61 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.76 -27.53 44.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.79 13.75 31.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.574 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -76.34 -47.89 21.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.73 95.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.209 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.1 m -77.33 160.89 28.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.82 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 62' ' ' GLN . 14.5 p -115.35 157.48 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 61' ' ' VAL . 1.8 pp0? -171.07 169.07 6.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.1 p -151.57 125.37 9.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p -108.26 93.58 4.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -110.0 120.54 42.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.22 176.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -139.76 127.1 21.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.342 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -82.29 129.2 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.93 -59.66 3.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -88.76 144.17 32.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 162.2 42.98 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.56 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.403 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.856 HD12 ' HB2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -75.94 147.8 38.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -54.97 -32.43 61.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.856 ' HB2' HD12 ' A' ' 11' ' ' LEU . 16.8 m120 -46.44 -32.25 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.85 HD21 HD11 ' A' ' 42' ' ' LEU . 1.4 tm? -61.08 -67.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.0 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.8 pp -55.22 -38.69 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 p -58.14 -44.6 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.51 -26.14 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.28 -38.95 49.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -48.29 -34.85 11.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.2 -37.18 3.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.0 m-85 -84.25 -60.55 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 42.2 t80 -41.52 -44.79 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.981 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . -35.53 -61.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.773 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -82.86 -38.65 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -93.85 90.23 6.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' HB3' ' OE1' ' A' ' 27' ' ' GLN . . . -58.79 -50.2 74.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' OE1' ' HB3' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -129.47 80.77 71.39 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.462 0.649 . . . . 0.0 110.878 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 53.4 Cg_endo -69.73 146.19 59.62 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -87.68 -175.11 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.47 22.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.147 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -46.27 -37.24 7.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -82.59 -39.12 22.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 51' ' ' PHE . 16.4 mt -61.32 -57.3 12.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.2 t -47.21 -46.48 24.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.6 OUTLIER -60.48 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 HG23 ' CE2' ' A' ' 21' ' ' TYR . 72.9 mt -42.01 -36.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -65.11 -40.66 94.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 35' ' ' LYS . 15.5 t70 -61.69 -19.92 62.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.5 t -83.02 -43.88 15.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.3 m -89.04 17.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 50.01 39.1 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.929 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 39.2 mt -128.76 156.47 77.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.575 0.703 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.491 ' HG2' HG23 ' A' ' 46' ' ' VAL . 52.6 Cg_endo -69.83 174.57 9.37 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.626 2.217 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -74.89 -30.76 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.74 -60.74 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.0 t -43.15 -42.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.73 -39.27 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -57.44 -43.25 83.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -54.93 -66.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.963 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 15' ' ' LEU . 75.7 t90 -37.53 -55.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 21.7 m-85 -50.61 -53.25 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.92 -32.48 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -72.46 -48.95 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 38.0 tpp -62.53 -55.98 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -52.47 -29.86 26.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.15 -29.7 34.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.77 20.3 10.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -82.65 -44.02 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.97 122.12 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -123.19 115.84 22.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -121.09 102.63 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -48.91 -64.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.1 t -139.93 142.06 36.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.828 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -127.14 135.34 50.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -71.1 108.14 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 68.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -97.14 126.34 42.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -142.42 111.36 6.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.75 -75.49 0.42 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -96.07 155.04 38.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.742 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 160.17 50.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.757 2.305 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.63 -174.05 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.765 2.31 . . . . 0.0 112.366 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 tp -50.51 106.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -48.77 -38.26 21.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.49 ' O ' HD12 ' A' ' 17' ' ' LEU . 75.9 m-20 -50.18 -32.15 15.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' N ' ' A' ' 15' ' ' LEU . 5.6 tt -61.63 -55.93 25.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' N ' HD23 ' A' ' 14' ' ' LEU . 23.8 mt -51.6 -37.6 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.021 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.4 m -53.35 -51.42 62.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 13' ' ' ASN . 5.2 mp -49.19 -26.91 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 20' ' ' ALA . 21.4 mt -90.07 -45.2 9.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -43.25 -24.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 18' ' ' LEU . . . -62.57 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' HA ' HD21 ' A' ' 24' ' ' LEU . 96.4 m-85 -43.42 -40.9 3.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 21.0 t80 -55.14 -45.42 75.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.64 -58.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.778 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -77.11 -38.34 52.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.03 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 28' ' ' PRO . 12.3 t-20 -104.0 98.93 8.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.08 -42.01 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.06 78.07 60.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.71 142.36 47.94 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.744 2.296 . . . . 0.0 112.341 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -84.64 -175.55 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.58 27.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.166 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -46.33 -33.11 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -87.18 -39.02 15.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.515 HD13 ' HG2' ' A' ' 48' ' ' LYS . 16.7 mt -61.11 -55.09 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -54.41 -42.24 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.58 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.81 -36.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -60.18 -52.79 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -50.39 -20.97 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -83.86 -42.24 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -89.63 13.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 54.64 32.96 18.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.015 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 46.5 mt -123.21 156.71 62.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.49 2.95 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.641 2.227 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -82.81 -24.14 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.25 -54.14 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.3 t -50.15 -44.09 22.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.6 -41.94 83.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HG2' HD13 ' A' ' 33' ' ' LEU . 28.7 mtpt -56.43 -48.67 76.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -53.29 -65.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.533 ' CD1' HD22 ' A' ' 15' ' ' LEU . 81.5 t90 -36.76 -58.67 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 16.9 m-85 -46.47 -48.95 18.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.05 -37.05 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -50.28 41.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.578 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 43.8 tpp -59.64 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -53.39 -28.62 30.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.82 -25.69 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.03 17.33 32.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -80.71 -45.75 16.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt -70.93 88.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.9 m -39.96 116.72 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.1 m -85.69 40.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -135.11 154.67 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -151.73 142.9 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -89.91 158.12 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -164.45 113.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.43 53.23 39.57 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m -105.54 99.53 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.785 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -158.53 159.25 35.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.12 -96.52 0.16 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.54 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -101.49 158.66 31.36 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.515 0.674 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.89 150.31 67.26 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.319 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -175.38 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 14' ' ' LEU . 11.9 tp -42.46 133.69 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -88.23 -50.23 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.474 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -45.17 -37.26 4.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.786 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -46.64 -39.32 11.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' HE1' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -88.17 -33.82 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -58.14 -42.97 87.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.97 -52.41 49.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 15' ' ' LEU . 24.2 mt -40.37 -44.97 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 20' ' ' ALA . 44.8 mttp -38.33 -46.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -34.19 -56.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -66.61 -45.97 77.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 51.6 t80 -47.37 -33.36 5.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.04 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -82.25 -48.52 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 24.8 t-20 -105.85 92.23 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.86 -47.91 83.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -130.24 79.01 73.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.977 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.6 Cg_endo -69.71 149.45 67.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.657 2.238 . . . . 0.0 112.347 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -84.35 163.4 19.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -44.41 -62.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ALA . 35.6 mm-40 -34.62 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.4 mm-40 -83.42 -55.8 4.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD13 ' CG ' ' A' ' 48' ' ' LYS . 10.1 mt -36.35 -52.32 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -50.71 -47.12 59.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -60.84 -57.23 13.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.567 ' H ' HD12 ' A' ' 36' ' ' ILE . 3.7 mp -51.27 -36.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.958 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -63.09 -56.13 19.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -45.42 -26.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.6 t -76.9 -47.44 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 42' ' ' LEU . 26.9 m -86.22 20.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 46.49 43.9 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.958 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.3 mt -134.03 157.27 78.06 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.5 Cg_endo -69.78 175.9 7.51 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 33' ' ' LEU . 12.9 tp -77.97 -27.92 49.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -71.23 -56.3 6.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG23 ' HG2' ' A' ' 43' ' ' PRO . 36.8 t -47.44 -44.61 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 33' ' ' LEU . 92.3 t -67.51 -41.52 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' CG ' HD13 ' A' ' 33' ' ' LEU . 36.6 mtpt -56.32 -51.37 68.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.3 mptp? -51.12 -65.24 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.999 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.49 ' HE1' HD13 ' A' ' 15' ' ' LEU . 80.0 t90 -36.84 -58.63 0.74 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 18.9 m-85 -47.85 -51.79 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -58.48 -32.42 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -73.23 -47.27 44.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.426 ' HE2' ' CH2' ' A' ' 50' ' ' TRP . 12.6 tpp -64.57 -52.59 56.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.68 -28.48 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -27.78 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.15 -18.08 16.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -39.79 -42.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.312 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.437 HD13 ' NE1' ' A' ' 50' ' ' TRP . 79.5 mt -89.47 111.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 t -40.35 154.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.0 t -124.89 140.27 48.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -135.86 124.54 23.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -70.9 137.91 49.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 t -148.91 146.93 28.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -114.58 135.99 53.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.51 113.42 0.34 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -95.84 -49.66 5.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.916 0.388 . . . . 0.0 110.893 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -89.86 143.88 26.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 129.38 9.01 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -153.8 151.67 25.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 153.28 69.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.744 2.296 . . . . 0.0 112.283 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 177.72 5.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -81.93 161.54 23.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.79 -24.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.593 ' HB2' HD12 ' A' ' 11' ' ' LEU . 9.4 t-20 -51.08 -34.39 30.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.6 tm? -44.7 -37.14 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -82.55 -34.82 27.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -62.93 -40.07 96.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.8 mt -58.61 -58.83 6.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD21 HG21 ' A' ' 40' ' ' VAL . 40.5 mt -58.01 -51.37 69.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 0.7 OUTLIER -38.48 -39.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.11 -58.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.3 m-85 -57.05 -48.15 79.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 45.5 t80 -53.82 -20.25 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -61.24 -41.77 97.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -95.64 -41.5 8.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.27 109.61 21.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.36 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.09 80.83 68.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 148.75 65.77 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.776 2.318 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 p -83.5 -176.21 6.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.9 26.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.91 -31.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' O ' HD12 ' A' ' 36' ' ' ILE . 17.4 mm-40 -92.02 -54.88 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 9.3 mt -35.71 -46.56 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 t -62.4 -42.65 99.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 mmpt? -57.3 -57.49 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.693 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.2 mp -51.5 -43.29 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -62.7 -42.07 99.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.042 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.28 -27.59 55.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -82.14 -44.02 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.688 HG21 HD21 ' A' ' 18' ' ' LEU . 17.0 m -81.87 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 t30 53.81 42.56 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.906 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 59.0 mt -133.31 155.35 80.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.85 174.17 9.97 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.755 2.303 . . . . 0.0 112.27 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 15.4 tp -77.39 -29.11 53.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -70.18 -57.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG23 ' HG2' ' A' ' 43' ' ' PRO . 25.6 t -46.21 -48.36 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG21 ' HB2' ' A' ' 37' ' ' ALA . 96.8 t -68.23 -40.81 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.04 -45.86 75.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -58.11 -60.97 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 19' ' ' LYS . 76.6 t90 -40.74 -57.29 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -47.7 -49.72 27.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -56.37 -33.07 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -48.14 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.562 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 4.1 tpp -61.98 -54.15 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -54.9 -29.57 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.49 13.76 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 54.32 37.76 60.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -99.82 -48.83 4.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.8 mt -70.36 131.31 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.3 m -95.29 106.04 18.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 63' ' ' SER . 33.2 m -81.95 171.33 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -48.55 -42.82 34.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.5 p -89.91 146.79 24.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -118.12 -49.88 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -51.41 138.57 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.94 173.01 42.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m 49.47 40.74 19.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -88.47 148.31 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.52 -38.85 1.8 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 24.9 tt0 -67.32 143.07 97.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.935 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 54.6 Cg_endo -69.73 157.09 61.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 174.36 9.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.9 tp -72.18 139.82 48.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -61.97 -51.68 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.85 -45.58 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.607 HD23 ' C ' ' A' ' 14' ' ' LEU . 3.1 tt -46.35 -51.4 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 14' ' ' LEU . 25.4 mt -45.12 -32.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.4 t -75.71 -34.39 60.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.75 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.3 mt -57.13 -21.85 35.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.0 mt -88.48 -44.01 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -43.18 -38.23 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.57 -40.01 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.028 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 45.0 m-85 -76.11 -56.25 4.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 15.4 t80 -39.95 -32.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.51 8.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.0 pp -86.24 -37.17 18.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' LEU . 49.0 t-20 -126.12 87.24 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -52.87 -69.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -107.46 81.04 0.99 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.587 0.708 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 54.9 Cg_endo -69.72 151.19 69.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.721 2.28 . . . . 0.0 112.361 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -74.54 178.46 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.792 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.39 -59.2 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -42.49 -38.75 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -81.02 -39.71 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -58.28 -58.12 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 t -48.13 -43.2 30.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.777 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -65.13 -58.71 5.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 19.8 mt -48.12 -35.02 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.901 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.79 -49.42 76.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.2 -25.32 22.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t -74.89 -41.39 59.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.1 m -91.13 11.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 58.82 27.62 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.2 mt -118.47 156.2 51.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.657 0.741 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.5 Cg_endo -69.7 176.93 6.07 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.707 2.271 . . . . 0.0 112.38 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.43 -23.48 46.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.15 -52.03 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG11 HD22 ' A' ' 42' ' ' LEU . 20.8 t -49.97 -47.49 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.11 -43.62 92.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -53.61 -50.69 65.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -38.22 -61.05 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -44.31 -41.43 6.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -73.35 -40.73 64.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -61.95 -55.27 31.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -58.49 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -55.54 -34.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.93 -27.3 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.5 35.49 3.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.422 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -97.56 -49.58 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.6 mm -48.08 -41.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -72.31 145.59 47.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.7 p -119.12 -15.17 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -78.28 153.66 31.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.6 t -141.75 152.01 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 -179.888 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -122.91 134.14 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -54.73 164.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.43 -60.09 1.08 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.409 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t 56.35 45.07 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -116.31 133.43 56.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.34 135.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 17.4 tt0 -89.64 143.13 29.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.8 Cg_endo -69.68 149.61 67.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 2.298 . . . . 0.0 112.317 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.76 179.8 3.44 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.721 2.281 . . . . 0.0 112.432 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.64 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -76.33 135.41 39.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.989 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 13' ' ' ASN . 12.4 pttp -60.6 -50.16 74.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' LYS . 3.3 m-80 -35.49 -41.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tp -44.87 -55.24 5.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 16' ' ' SER . 4.0 pp -87.15 -44.89 11.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.679 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.0 m -48.82 -55.91 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -47.7 -37.78 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' ALA . 14.8 mt -74.04 -54.73 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -37.62 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 18' ' ' LEU . . . -59.27 -53.9 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.05 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD2' HG23 ' A' ' 36' ' ' ILE . 89.2 m-85 -63.95 -53.33 51.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 22.7 t80 -52.16 -34.34 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.78 -53.14 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.006 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.24 -39.21 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.941 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 28' ' ' PRO . 23.8 t-20 -96.16 99.69 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.53 -49.17 64.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -131.89 80.1 66.1 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.473 0.654 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 53.5 Cg_endo -69.81 157.38 60.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.615 2.21 . . . . 0.0 112.4 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -97.03 -175.12 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.52 -62.27 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -42.12 -42.14 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.88 -39.58 56.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 21.6 mt -59.55 -54.99 40.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 t -46.12 -49.5 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' ASP . 21.5 tttp -60.58 -62.06 2.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 21' ' ' TYR . 29.6 mt -42.74 -34.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.913 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -73.76 -37.39 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' LYS . 5.9 m-20 -63.48 -11.16 21.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -93.42 -35.94 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 42' ' ' LEU . 9.7 m -93.03 9.02 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.99 30.85 19.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.913 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 70.4 mt -123.18 155.41 64.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.532 0.682 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -177.27 1.78 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.676 2.25 . . . . 0.0 112.292 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD11 ' HE3' ' A' ' 48' ' ' LYS . 14.0 tp -83.17 -25.15 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 46' ' ' VAL . 1.0 OUTLIER -76.35 -53.0 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 45' ' ' ASP . 54.7 t -56.73 -40.35 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 37' ' ' ALA . 48.2 t -71.07 -37.76 68.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HE3' HD11 ' A' ' 44' ' ' LEU . 37.3 mttt -57.57 -43.65 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' TRP . 2.1 mptm? -55.14 -64.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.969 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' LYS . 57.6 t90 -36.62 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 28' ' ' PRO . 12.8 m-85 -58.1 -57.79 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.09 -29.88 46.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.53 -50.14 19.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.718 ' HB2' HD12 ' A' ' 59' ' ' ILE . 50.5 tpp -61.99 -55.57 27.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.57 -30.75 32.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.47 -26.08 38.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.45 17.37 22.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -77.95 -49.86 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.718 HD12 ' HB2' ' A' ' 54' ' ' MET . 59.4 mt -60.52 -55.16 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.5 t -159.48 148.03 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.014 0.435 . . . . 0.0 110.811 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.91 -27.03 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -112.02 120.63 42.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -130.9 -54.81 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.878 -179.779 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -98.46 115.61 28.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.951 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -110.86 130.15 55.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.781 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.0 120.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 t 41.01 43.14 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -100.6 104.9 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.09 -132.89 7.52 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.579 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 25.1 tt0 -66.57 143.06 97.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 54.4 Cg_endo -69.69 166.97 25.7 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 170.65 16.11 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.665 2.243 . . . . 0.0 112.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' A' ' 14' ' ' LEU . 23.2 mt -47.82 154.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.69 -28.6 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -53.68 -37.82 63.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' HA ' HD12 ' A' ' 17' ' ' LEU . 3.7 pp -72.12 -28.99 63.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD22 ' HD1' ' A' ' 50' ' ' TRP . 42.6 mt -74.2 -42.14 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -59.92 -46.41 89.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 14' ' ' LEU . 35.5 mt -47.57 -55.62 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 mt -42.38 -43.08 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' ALA . 1.2 ttmp? -39.32 -42.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -36.44 -54.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.743 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 97.2 m-85 -55.64 -58.3 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' ' 26' ' ' ALA . 14.2 t80 -36.16 -37.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.69 -61.41 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.1 pp -79.93 -39.34 30.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.699 ' HB2' HD12 ' A' ' 24' ' ' LEU . 58.3 t-20 -126.51 88.12 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HA ' ' CG ' ' A' ' 22' ' ' TYR . . . -52.55 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 27' ' ' GLN . 5.4 pt20 -107.41 81.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HB3' ' ND2' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.72 165.58 30.43 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.721 2.281 . . . . 0.0 112.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p -91.56 -176.82 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.26 -59.66 5.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -42.92 -40.25 2.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -78.07 -40.17 39.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 15.8 mt -57.71 -62.63 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.6 t -45.99 -44.84 15.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.88 -59.77 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.743 HG23 ' CZ ' ' A' ' 21' ' ' TYR . 20.1 mt -48.88 -35.36 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.941 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -61.42 -59.45 5.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.051 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.05 -33.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.8 m -70.82 -46.72 62.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 42' ' ' LEU . 20.1 m -85.06 14.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 50.92 42.34 28.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.941 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 35.7 mt -133.3 157.01 79.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.655 0.741 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.63 174.7 9.02 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.419 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.7 tp -79.35 -25.25 42.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.26 -47.09 37.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 43' ' ' PRO . 28.1 t -58.17 -40.61 78.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.89 -41.09 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -58.78 -54.27 49.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -50.65 -60.11 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.82 ' HD1' HD22 ' A' ' 15' ' ' LEU . 75.2 t90 -39.54 -58.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -45.25 -46.74 12.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.99 -46.5 77.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.44 -49.11 75.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -64.39 -42.14 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.808 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -65.03 -29.92 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.32 6.88 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.34 47.23 89.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -112.24 -44.93 3.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.73 -58.48 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.2 t -146.3 162.39 38.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.1 p -148.67 141.17 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -123.29 -51.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -131.29 177.13 7.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.817 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.796 -179.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.546 -0.221 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 60.54 40.43 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 m -71.89 111.18 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.07 39.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -153.27 127.96 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -54.99 170.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.95 -88.37 0.49 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 17.7 tt0 -95.25 143.04 25.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.3 Cg_endo -69.71 148.65 65.85 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.79 171.34 14.67 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.714 2.276 . . . . 0.0 112.271 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 tp -56.39 133.98 53.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 13' ' ' ASN . 17.1 ptmt -46.1 -40.41 10.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 12' ' ' LYS . 1.5 m120 -43.16 -34.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' A' ' 42' ' ' LEU . 1.6 tm? -44.15 -59.79 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -69.86 -28.0 65.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 m -64.25 -25.05 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.24 -45.63 14.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.5 -42.17 54.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -43.53 -39.59 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -40.81 -59.42 1.42 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.009 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CD2' HG23 ' A' ' 36' ' ' ILE . 64.1 m-85 -64.63 -54.4 32.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' CE2' ' HG2' ' A' ' 54' ' ' MET . 84.1 t80 -48.31 -23.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 20' ' ' ALA . . . -55.25 -43.26 74.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -102.02 -39.35 7.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' OD1' ' CA ' ' A' ' 28' ' ' PRO . 34.1 t-20 -101.45 85.72 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.67 -60.11 3.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -117.42 80.78 13.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.484 0.659 . . . . 0.0 110.952 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CA ' ' OD1' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.84 167.33 24.85 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.7 p -98.61 -177.24 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.06 -56.3 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -43.83 -37.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -83.44 -45.04 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -51.17 -55.45 17.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.9 t -45.26 -55.4 5.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -55.89 -61.23 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 21' ' ' TYR . 69.8 mt -39.8 -36.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.919 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -68.93 -45.44 70.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -52.55 -19.37 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 t -83.55 -48.61 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.9 m -84.62 19.65 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.62 36.93 5.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.919 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.4 mt -124.68 157.66 64.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -178.98 2.61 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.605 2.204 . . . . 0.0 112.401 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.9 tp -84.02 -25.41 29.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.1 -54.66 7.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 t -50.47 -42.92 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.64 -43.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -53.4 -49.05 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' TRP . 5.6 mptt -54.13 -65.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.432 ' NE1' HD13 ' A' ' 59' ' ' ILE . 80.1 t90 -36.23 -58.41 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -49.51 -52.97 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.16 -28.44 62.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -43.04 30.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.452 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 3.1 tpp -67.18 -50.69 60.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.99 -29.92 58.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.63 -27.27 51.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.27 22.19 12.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -87.26 -44.27 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 54' ' ' MET . 74.6 mt -71.79 -55.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLN . 59.5 p -83.18 114.81 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -37.5 -32.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' SER . 78.8 mt-30 -84.97 129.62 34.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.2 t -115.16 150.61 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.787 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -95.01 -50.4 5.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.384 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -105.8 170.45 7.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.35 -42.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -103.03 -59.46 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.885 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -40.62 115.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.9 -175.51 34.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.62 149.5 92.32 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.541 0.686 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 149.09 66.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.688 2.258 . . . . 0.0 112.401 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -172.22 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.379 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.7 mt -55.16 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -81.43 -61.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -43.42 -34.62 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 14' ' ' LEU . 1.6 tm? -45.54 -51.91 11.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.12 -50.82 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 m -43.33 -39.1 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.3 mt -52.89 -43.62 66.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.2 mt -67.42 -46.93 71.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.22 -32.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.89 -48.19 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.631 ' CE2' HG23 ' A' ' 36' ' ' ILE . 11.3 m-85 -71.43 -55.78 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 34.4 t80 -35.95 -31.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -58.55 -57.35 13.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -79.43 -33.32 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.4 m120 -135.01 93.2 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.579 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -59.24 -50.46 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.95 79.58 64.67 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.567 0.699 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.5 p -94.19 -176.55 4.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.11 -60.85 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.12 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.38 -38.82 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -79.95 -45.59 18.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 13.5 mt -47.84 -53.81 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -48.25 -50.34 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -60.66 -55.74 29.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.631 HG23 ' CE2' ' A' ' 21' ' ' TYR . 84.9 mt -45.87 -33.46 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.965 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.12 -46.23 35.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -51.1 -19.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.0 m -85.32 -45.27 12.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 42' ' ' LEU . 23.6 m -86.81 18.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 49.94 36.27 11.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.965 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 38.3 mt -125.18 157.02 68.78 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 121.616 0.722 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 179.54 3.62 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.672 2.248 . . . . 0.0 112.42 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 7.7 tp -82.75 -27.14 31.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.38 -52.48 18.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -53.98 -41.9 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.527 HG21 ' HB2' ' A' ' 37' ' ' ALA . 79.1 t -69.18 -37.9 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HE3' HD11 ' A' ' 44' ' ' LEU . 38.1 mttt -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -62.09 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -38.62 -52.18 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -54.56 -57.98 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.74 -33.23 60.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.7 -43.24 63.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.2 tpp -66.83 -50.76 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -55.34 -26.79 43.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.75 -22.39 27.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.34 30.26 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -94.79 -46.97 6.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.768 0.318 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.6 mm -52.06 105.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.5 p -156.99 172.96 17.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -161.49 148.45 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.18 163.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.0 p -80.02 -47.22 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.851 -179.787 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -136.03 173.82 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -50.86 -58.48 5.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.47 92.78 0.53 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.591 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -51.43 123.61 10.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -51.4 159.4 0.71 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.81 -105.85 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.409 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 18.2 tt0 -47.63 143.14 6.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.677 0.751 . . . . 0.0 110.846 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.3 Cg_endo -69.87 166.74 26.7 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.758 2.305 . . . . 0.0 112.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.41 129.37 39.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.63 -34.04 71.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -78.54 -34.81 46.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 14' ' ' LEU . 4.8 tt -49.18 -44.81 43.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HB3' ' NE1' ' A' ' 50' ' ' TRP . 36.7 mt -79.56 -43.01 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.9 p -45.5 -41.87 10.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.96 -53.17 59.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.3 mt -42.82 -40.54 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ALA . 22.2 tttt -45.84 -41.71 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LYS . . . -35.64 -48.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' A' ' 36' ' ' ILE . 96.8 m-85 -68.36 -52.53 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 26' ' ' ALA . 9.5 t80 -38.56 -27.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -53.8 -51.88 62.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.164 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD12 ' HB2' ' A' ' 25' ' ' ASN . 4.2 pp -87.6 -39.61 14.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.797 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -129.68 94.09 3.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 22' ' ' TYR . . . -54.56 -62.22 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.28 80.74 2.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.1 Cg_endo -69.78 134.89 29.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.581 2.187 . . . . 0.0 112.382 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 p -61.09 -175.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.25 -58.57 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -41.89 -37.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 36' ' ' ILE . 19.0 mt-10 -83.21 -51.23 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 10.3 mt -42.9 -60.58 1.55 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -39.44 -43.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -59.9 -62.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 36' ' ' ILE . 5.1 mp -46.08 -42.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.007 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -55.66 -59.86 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.61 -28.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 m -76.38 -48.58 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.702 HG23 ' HB2' ' A' ' 42' ' ' LEU . 18.8 m -85.08 19.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 45.94 37.8 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.007 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 29.8 mt -127.46 157.86 71.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.584 0.707 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -179.05 2.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 12.8 tp -85.71 -24.24 27.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.23 -46.61 40.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.91 -42.78 94.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.13 -32.77 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mtpt -65.51 -55.42 17.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' TRP . 0.4 OUTLIER -47.72 -61.83 1.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.837 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CH2' ' SD ' ' A' ' 54' ' ' MET . 79.4 t90 -37.89 -62.01 0.59 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 10.1 m-85 -42.9 -46.16 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -67.64 -36.35 80.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -62.0 -57.03 13.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.569 ' SD ' ' CH2' ' A' ' 50' ' ' TRP . 18.4 ttp -63.01 -42.24 99.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 51' ' ' PHE . 56.3 mt-30 -59.08 -24.82 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.55 -26.52 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.03 25.03 7.7 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -88.95 -46.42 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 54' ' ' MET . 81.1 mt -72.75 103.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -104.62 143.28 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.8 t -72.37 -32.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -86.15 -53.14 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.6 t -73.0 126.25 29.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -118.95 108.82 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.97 0.414 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -125.09 122.65 37.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.38 162.24 18.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -93.3 110.0 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 110.913 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 m -71.24 127.07 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.29 -61.95 0.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.79 149.05 0.42 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.705 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 161.82 44.47 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.222 . . . . 0.0 112.362 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.837 ' HA ' HD13 ' A' ' 14' ' ' LEU . 52.9 Cg_endo -69.88 152.01 68.58 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.6 2.2 . . . . 0.0 112.343 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.806 HD23 ' H ' ' A' ' 12' ' ' LYS . 1.3 tt -124.26 166.95 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.806 ' H ' HD23 ' A' ' 11' ' ' LEU . 9.8 ptmt -42.37 -49.23 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -60.55 -36.21 77.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD13 ' HA ' ' A' ' 10' ' ' PRO . 10.3 tt -64.68 -51.96 59.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.6 pp -73.58 -26.51 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -64.87 -43.16 93.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.4 -46.77 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.85 -45.01 79.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -38.35 -44.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.12 -61.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 36' ' ' ILE . 88.9 m-85 -64.35 -54.78 27.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 80.0 t80 -36.05 -40.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.951 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -62.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.617 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.3 pp -71.51 -35.79 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.46 87.44 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -56.07 -42.31 76.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 10.6 pt20 -122.5 80.91 46.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 51' ' ' PHE . 54.0 Cg_endo -69.73 150.11 67.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 p -78.53 -179.44 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.79 -62.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -40.58 -39.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -76.69 -45.19 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 8.8 mt -49.95 -67.63 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.5 t -41.04 -49.9 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.57 HG23 ' CE2' ' A' ' 21' ' ' TYR . 19.4 mt -44.57 -45.72 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.93 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -45.79 -41.8 11.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -54.86 -41.03 70.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.4 p -61.32 -50.92 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' A' ' 42' ' ' LEU . 17.0 m -81.62 15.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 47.0 35.65 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.93 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 34.8 mt -122.87 157.49 59.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.623 0.725 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.8 178.38 4.65 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.649 2.233 . . . . 0.0 112.383 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 13.5 tp -80.2 -23.98 40.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.59 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' HG2' ' A' ' 43' ' ' PRO . 42.4 t -50.02 -39.61 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.64 -41.58 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -57.59 -52.41 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.29 -66.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ2' ' SD ' ' A' ' 54' ' ' MET . 80.0 t90 -38.39 -59.46 0.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 28' ' ' PRO . 7.7 m-85 -44.29 -48.66 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -67.15 -33.21 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -64.5 -55.09 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.571 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.3 ttp -58.85 -53.26 60.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -53.91 -35.93 62.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.67 -30.09 56.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.89 36.37 2.39 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -101.24 -44.31 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm -63.31 109.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.0 t -119.66 162.17 19.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -102.3 96.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' CD ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -93.5 41.1 1.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 m -77.74 96.19 4.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -142.56 168.23 20.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -67.75 106.01 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 166.84 13.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.457 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -68.35 88.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -77.54 92.2 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.43 -109.39 2.29 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.66 147.78 56.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.688 0.756 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 167.33 24.8 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.614 2.21 . . . . 0.0 112.368 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 170.79 15.6 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mp -70.83 169.26 15.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -83.59 -44.75 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.952 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.469 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.1 p30 -54.78 -43.9 73.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 14' ' ' LEU . 9.0 tt -37.42 -49.61 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 50' ' ' TRP . 27.0 mt -63.39 -49.27 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -46.04 -43.71 14.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 13' ' ' ASN . 6.8 mp -56.9 -48.74 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.48 -51.09 61.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -38.99 -40.44 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.33 -46.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.06 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.589 ' CE2' HG23 ' A' ' 36' ' ' ILE . 74.8 m-85 -76.98 -35.65 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 64.4 t80 -59.1 -43.8 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.02 -62.74 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.016 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 25' ' ' ASN . 4.1 pp -74.21 -46.65 40.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.921 ' N ' HD12 ' A' ' 24' ' ' LEU . 40.2 t-20 -122.84 92.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -54.79 -61.76 2.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -112.81 80.81 4.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.532 0.682 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 165.13 32.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.367 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 m -82.52 168.86 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -50.55 -64.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.093 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 30' ' ' ALA . 23.1 mt-10 -35.77 -39.69 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.44 -41.68 27.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' ALA . 19.1 mt -59.29 -64.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.0 t -44.51 -45.93 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -57.82 10.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 21' ' ' TYR . 42.6 mt -48.46 -35.18 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.111 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.989 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -66.46 -47.05 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.9 -17.66 10.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.8 m -86.54 -41.68 14.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 42' ' ' LEU . 12.2 m -90.68 15.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 54.43 34.65 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.989 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 28.6 mt -123.5 155.03 66.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 178.47 4.54 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.732 2.288 . . . . 0.0 112.318 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 tp -81.35 -27.74 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -54.62 10.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.831 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 t -49.3 -52.2 11.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.5 t -61.68 -41.46 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -59.93 -47.95 83.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 1.3 mptp? -55.88 -64.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.664 ' CD1' HD22 ' A' ' 15' ' ' LEU . 84.2 t90 -38.14 -55.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -45.94 -38.96 8.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 49' ' ' LYS . 15.2 mm-40 -75.54 -24.66 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' CB ' HG12 ' A' ' 59' ' ' ILE . 28.3 mmtt -72.54 -56.97 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.588 ' SD ' ' CZ2' ' A' ' 50' ' ' TRP . 1.6 ttp -58.45 -41.9 86.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.48 -29.48 70.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.0 -27.34 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.55 -15.12 19.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -45.9 -46.81 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.729 0.299 . . . . 0.0 110.913 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.434 HG12 ' CB ' ' A' ' 53' ' ' LYS . 5.6 mm -73.23 101.97 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -44.46 168.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.6 t -110.69 119.2 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.22 138.98 31.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 88.7 p -165.0 139.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.903 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -45.5 148.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -140.34 140.9 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.82 -163.29 12.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -78.03 103.52 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -152.95 146.41 24.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.17 56.53 2.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -92.65 146.95 33.25 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 148.71 65.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.613 2.209 . . . . 0.0 112.365 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -179.25 2.81 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.4 145.44 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -48.85 -44.12 39.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.644 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.5 m120 -44.61 -25.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.3 tm? -48.71 -49.79 36.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.1 pp -66.01 -20.76 66.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -81.4 -36.47 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 HD12 ' O ' ' A' ' 13' ' ' ASN . 4.5 mp -63.98 -43.21 96.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 mt -67.15 -36.06 81.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -33.4 8.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.73 -33.25 22.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' CE1' HG23 ' A' ' 36' ' ' ILE . 61.2 m-85 -71.8 -58.39 3.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 26' ' ' ALA . 1.2 t80 -35.99 -42.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.48 -66.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 25' ' ' ASN . 3.1 pp -66.82 -39.65 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -121.07 91.25 3.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.578 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . . . -44.55 -69.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -131.73 84.56 54.31 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.449 0.642 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.4 Cg_endo -69.82 146.26 59.3 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 164.42 20.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . . . -39.16 -64.16 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' ALA . 46.8 mt-10 -34.83 -36.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . 25.0 mt-10 -88.28 -54.8 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -36.48 -62.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.1 t -39.99 -56.1 1.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 8.4 mptt -56.51 -48.68 76.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG23 ' CE1' ' A' ' 21' ' ' TYR . 62.2 mt -57.16 -29.11 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -75.13 -52.82 10.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -47.68 -24.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 t -72.92 -48.86 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 42' ' ' LEU . 15.5 m -85.68 14.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 57.81 32.9 22.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 26.5 mt -121.84 155.57 60.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.626 0.727 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 174.68 9.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.704 2.269 . . . . 0.0 112.306 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.514 HD11 ' HE3' ' A' ' 48' ' ' LYS . 9.0 tp -78.33 -22.8 47.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.65 -46.74 24.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG11 HD13 ' A' ' 42' ' ' LEU . 20.2 t -55.65 -46.28 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.57 -37.99 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 44' ' ' LEU . 43.1 mttt -58.67 -43.01 89.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -60.27 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -38.78 -49.86 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' A' ' 33' ' ' LEU . 9.5 m-85 -53.91 -58.1 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.21 -28.89 56.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.51 -42.88 58.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.951 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.532 ' HB2' HD12 ' A' ' 59' ' ' ILE . 2.5 tmm? -71.88 -37.6 70.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -64.63 -26.67 68.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.65 -31.21 28.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.63 20.78 8.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -85.66 -40.47 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 54' ' ' MET . 63.6 mt -76.25 104.49 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -60.86 140.41 57.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.6 t -107.58 106.94 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 55.39 42.21 30.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.7 t -40.34 127.79 2.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.796 -179.776 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -61.42 93.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 t -70.01 134.19 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.94 119.37 0.72 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -140.89 119.14 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -112.68 118.72 35.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.67 -120.77 6.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.587 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -136.68 144.03 45.31 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.724 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 163.21 39.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.384 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -177.73 2.0 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.752 2.301 . . . . 0.0 112.39 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 14' ' ' LEU . 6.1 tp -59.97 108.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.564 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.02 -14.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' HB2' HD23 ' A' ' 11' ' ' LEU . 2.7 m-80 -61.56 -22.06 64.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.904 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.4 -12.69 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.764 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -45.55 -64.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -44.66 -53.3 7.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -43.66 -45.04 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 HG13 ' A' ' 47' ' ' VAL . 16.7 mt -63.76 -46.9 83.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -45.39 -31.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -44.89 -63.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.902 ' CE2' HG23 ' A' ' 36' ' ' ILE . 98.4 m-85 -56.03 -58.06 9.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.91 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' TYR . 30.4 t80 -35.87 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.977 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . -60.63 -56.44 21.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.182 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.9 pp -76.94 -39.94 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -110.69 104.22 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -131.01 81.17 67.65 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.55 0.69 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 53.9 Cg_endo -69.76 159.32 53.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 p -89.6 -175.53 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.791 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -57.35 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.142 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -39.07 -36.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -85.95 -54.15 4.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 51' ' ' PHE . 15.8 mt -37.89 -45.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.9 t -54.59 -53.26 56.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -53.59 -58.4 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.902 HG23 ' CE2' ' A' ' 21' ' ' TYR . 4.1 mp -47.94 -34.41 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.899 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -71.3 -41.89 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.55 -20.71 57.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -81.35 -40.2 23.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG23 ' HB2' ' A' ' 42' ' ' LEU . 8.9 m -92.44 14.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.86 28.53 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.8 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.899 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 mt -116.37 156.1 47.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.694 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HG2' HG23 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.72 174.42 9.51 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.66 -23.24 49.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.48 -53.17 10.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 43' ' ' PRO . 33.2 t -48.99 -53.22 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 HD22 ' A' ' 18' ' ' LEU . 42.3 t -59.42 -42.26 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -53.07 -54.71 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -47.63 -62.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.829 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.589 ' CD1' HD13 ' A' ' 15' ' ' LEU . 76.4 t90 -37.25 -57.07 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.46 ' CD2' HD21 ' A' ' 33' ' ' LEU . 29.8 m-85 -52.57 -50.89 62.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.72 -35.27 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -72.6 -54.77 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.881 ' HB2' HD12 ' A' ' 59' ' ' ILE . 51.0 tpp -57.88 -54.3 48.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.72 -29.28 59.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.61 -28.18 33.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.04 21.58 9.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -82.18 -49.78 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.881 HD12 ' HB2' ' A' ' 54' ' ' MET . 65.4 mt -63.27 95.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -57.7 148.59 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 p -174.36 143.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -113.94 143.73 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -71.01 140.12 50.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 -179.853 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 p -100.24 90.48 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.802 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -78.93 85.71 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.52 -67.38 3.7 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -70.65 142.14 51.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 47.57 42.3 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.52 88.16 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.12 145.99 66.35 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 121.609 0.719 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.37 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.727 2.285 . . . . 0.0 112.293 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 171.85 13.58 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 ' H ' HD12 ' A' ' 11' ' ' LEU . 1.5 mp -66.06 -179.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 13' ' ' ASN . 10.0 pttt -92.24 -40.66 10.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' O ' HD12 ' A' ' 17' ' ' LEU . 37.3 m-20 -34.68 -39.5 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' ' 15' ' ' LEU . 2.4 tp -50.89 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.802 HD23 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -66.42 -57.12 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' LEU . 75.2 m -34.48 -39.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 13' ' ' ASN . 35.3 mt -69.69 -58.34 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.17 -43.34 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -40.18 -40.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.37 -47.89 9.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.819 ' CE1' HG23 ' A' ' 36' ' ' ILE . 83.2 m-85 -72.66 -59.66 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CE2' ' SD ' ' A' ' 54' ' ' MET . 49.0 t80 -38.35 -35.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.84 -58.35 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -86.43 -41.79 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 94.19 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 22' ' ' TYR . . . -60.21 -57.04 14.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -111.14 80.96 2.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 160.47 49.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.573 2.182 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -83.01 -176.55 6.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.0 -60.67 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.063 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -39.01 -37.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -84.11 -54.05 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -37.23 -62.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.8 t -42.89 -56.92 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -55.15 -55.6 29.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 ' CE1' ' A' ' 21' ' ' TYR . 78.9 mt -49.0 -31.4 4.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' O ' ' A' ' 42' ' ' LEU . . . -77.07 -29.37 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.25 -20.9 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -78.77 -48.11 15.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' A' ' 42' ' ' LEU . 14.5 m -84.43 15.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.3 m120 53.69 30.9 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.801 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 37.5 mt -116.46 155.44 48.59 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.543 ' HG2' HG23 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.86 174.83 9.02 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 tp -76.2 -26.81 56.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -56.85 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 43' ' ' PRO . 41.2 t -46.77 -47.39 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG21 ' HB2' ' A' ' 37' ' ' ALA . 71.0 t -65.76 -40.04 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -59.43 -53.5 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -51.71 -64.27 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.802 ' HE1' HD23 ' A' ' 15' ' ' LEU . 78.3 t90 -38.23 -57.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -48.76 -52.05 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -63.02 -25.18 68.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.52 -40.76 41.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.596 ' SD ' ' CE2' ' A' ' 22' ' ' TYR . 1.4 ttm -71.86 -46.34 58.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.09 -27.35 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.08 -29.13 39.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.73 26.16 5.95 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -94.28 -44.03 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.3 mm -64.97 123.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 98.2 p -105.33 163.79 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.71 -32.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -133.0 40.03 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.3 t -41.88 144.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.827 . . . . . . . . 0 0 . 1 stop_ save_